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Sample records for centre dot 6h2o

  1. Ferroelectric phase transition in hydrogen-bonded 2-aminopyridine phosphate (NC sub 4 H sub 4 NH sub 2)centre dot H sub 3 PO sub 4

    CERN Document Server

    Czapla, Z; Waskowska, A

    2003-01-01

    A new crystal of 2-aminopyridine phosphate (NC sub 4 H sub 4 NH sub 2)centre dot H sub 3 PO sub 4 has been grown and its x-ray structure and physical properties were studied. At room temperature the crystals are monoclinic, space group C2/c. The flat 2-aminopyridine cations are hydrogen bonded to the anionic [PO sub 4 ] groups. The interesting feature of the crystal structure is the three-dimensional network of hydrogen bonds including, among others, two strong, symmetrical O centre dot centre dot centre dot H, H centre dot centre dot centre dot O interactions with disordered proton locations. Symmetrically related PO sub 4 anions linked through these protons form infinite (PO sub 4) subinfinity chains along the crystal a-axis. The anomalies in the temperature dependence of the electric permittivity showed that the crystal undergoes ferroelectric phase transition at T sub c = 103.5 K. The spontaneous polarization takes place along the crystal a-axis, being parallel to the chains of the hydrogen-bonded PO sub ...

  2. Incommensurate phases in the improper ferroelastic MgGeF sub 6 centre dot 6H sub 2 O:Mn sup 2 sup + studied by means of EPR

    CERN Document Server

    Skrylnik, P G

    2002-01-01

    The results of an EPR study of the inhomogeneous phases existing in the temperature interval T sub C = 311.0 +- 0.3 K < T < T sub i sub 1 = 403 +- 0.3 K in improper ferroelastic crystals of MgGeF sub 6 centre dot 6H sub 2 O:Mn sup 2 sup + are presented. On the basis of the analysis of the temperature and angle dependences of the experimental parameters and numerical calculations, the conclusion has been drawn that at T sub i sub 1 the crystals considered undergo a transition to a structurally modulated phase and the order parameter of this transition may be the angle of the Mg[H sub 2 O] sub 6 sup 2 sup + octahedra rotation around the crystal C sub 3 -axis. From T sub i sub 1 to T sub C the modes of the modulated phase follow according to a completely classical scenario for incommensurate crystals: the origin of the incommensurate structure with plane-wave modulation at T sub i sub 1 , the appearance of structural phase solitons below T sub i sub 2 = 380 +- 0.3 K and decrease of the soliton density to v...

  3. Inversion of spin levels in Ni sup 2 sup + : Zn(BF sub 4) sub 2 centre dot 6H sub 2 O at all -round compression and effect of transition coincidence

    CERN Document Server

    Krygin, I M; Nejlo, G N; Prokhorov, A D

    2001-01-01

    The study of the EPR spectrum of the Ni sup 2 sup + ion, replacing Zn sup 2 sup + in the Zn(BF sub 4) centre dot 6H sub 2 O crystals in the wide temperature range by the all-round compression in the X- and Q-ranges is carried out. The basic changes by varying temperature and pressure occur with the D parameter, characterizing the initial splitting by practically unchanged g-factor. The increase in the temperature is accompanied by the D nonlinear growth. The all-round compression linearly changes the initial splitting and leads to the change in the D-sign, signifying the spin levels inversion by 3.5 kbar. Coincidence of EPR lines, relative to different transitions, leads to the crevasse appearance in the outline of this one, that is connected with cross-relaxation inside the spin system

  4. New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

    International Nuclear Information System (INIS)

    Weng Shengfeng; Wang, Yun-Hsin; Lee, Chi-Shen

    2012-01-01

    Two novel materials, [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1-bar (No. 2); compound 2 crystallized in monoclinic space group P2 1 /c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of Cu II ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d 1 excited state and two levels of the 4f 1 ground state ( 2 F 5/2 and 2 F 7/2 ). Compounds 1b and 2 containing Ce III ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers. - Graphical Abstract: [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2)—with 1D and 2D structures were synthesized and characterized. Highlights: ► Two MOF – [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2) – with 1D and 2D structures. ► The adjacent chains of the 1D framework were correlated with each other through an oxalate ligand to form a 2D layer structure. ► The source of the oxalate ligand was the decomposition in situ of citric acid oxidized in the presence of Cu II ions.

  5. A study of the x-irradiated Cs sub 5 H sub 3 (SO sub 4) sub 4 centre dot H sub 2 O crystal by EPR in the 80-415 K temperature range

    CERN Document Server

    Waplak, S; Baranov, A I; Shuvalov, L A

    1997-01-01

    The EPR spectra of the x-irradiated fast proton conductor Cs sub 5 H sub 3 (SO sub 4) sub 4 centre dot H sub 2 O were investigated in the temperature range of 80-415 K. Two kinds of paramagnetic SO sub 4 sup - centres with different proton configurations below about 370 K and freeze-out behaviour of one of them below about 200 K were observed. The role of acid proton dynamics with respect to the glassy-like transition is discussed. (author)

  6. NMR investigation on isotope effect of glycinium phosphite H sub 3 NCH sub 2 COOH centre dot H sub 2 PO sub 3

    CERN Document Server

    Ishibashi, T

    2003-01-01

    The motions of the phosphite anions and glycinium cations in H sub 3 NCH sub 2 COOH centre dot H sub 2 PO sub 3 (GPI) and its deuterated analogue (DGPI) were investigated by sup 1 H, sup 1 sup 3 C and sup 3 sup 1 P spin-lattice relaxation times T sub 1. For both GPI and DGPI, T sub 1 's of the sup 1 H, sup 1 sup 3 C and sup 3 sup 1 P nuclei reflect the amino rotation, methylene libration and motion of the phosphite anions, respectively. Activation energies obtained from T sub 1 's of sup 1 H, sup 1 sup 3 C and sup 3 sup 1 P nuclei are 28.6(2), 26.0(4) and 26.2(4) kJ/mol for GPI and are 34.9(6), 27(1), 47(2) kJ/mol for DGPI, respectively. The deuterium substitution increases E sub a for the motion influenced by the hydrogen bonding. In all the observed motions, correlation times of DGPI are larger than those of GPI. (author)

  7. Origin of the ESR spectrum in the Prussian blue analog RbMn[Fe(CN)(6)]center dot H2O

    NARCIS (Netherlands)

    Antal, A.; Janossy, A.; Forro, L.; Vertelman, E. J. M.; van Koningsbruggen, P. J.; van Loosdrecht, P. H. M.

    2010-01-01

    We present an electron spin resonance (ESR) study at excitation frequencies of 9.4 and 222.4 GHz of powders and single crystals of a Prussian blue analog (PBA), RbMn[Fe(CN)(6)]center dot H2O in which Fe and Mn undergoes a charge-transfer transition between 175 and 300 K. The ESR of PBA powders, also

  8. The first 3D malonate bridged copper [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: Structure, properties and electronic structure

    Energy Technology Data Exchange (ETDEWEB)

    Seguatni, A., E-mail: seguatni@gmail.com [LBPC-INSERM U 698, Institut Galilee, Universite Paris XIII, 99, avenue J. B. Clement 93430, Villetaneuse (France); Fakhfakh, M. [Unite de recherche UR 12-30, Synthese et Structure de Materiaux Inorganiques, Faculte des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Departement de Chimie, Universite du Quebec a Montreal, C.P. 8888, Succ. Centre-ville, Montreal, Que., H3C 3P8 (Canada); Smiri, L.S. [Unite de recherche UR 12-30, Synthese et Structure de Materiaux Inorganiques, Faculte des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Gressier, P.; Boucher, F. [Institut des Materiaux Jean Rouxel, Universite de Nantes, CNRS, 2 rue de la Houssiniere, BP 32229, 44322 Nantes Cedex 3 (France); Jouini, N. [Departement de Chimie, Universite du Quebec a Montreal, C.P. 8888, Succ. Centre-ville, Montreal, Que., H3C 3P8 (Canada)

    2012-03-15

    A new inorganic-organic compound [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O] ([Cumal]) was hydrothermally synthesized and characterized by IR spectroscopy, thermal analysis and single crystal X-ray diffraction. [Cumal] is the first three-dimensional compound existing in the system Cu(II)-malonic acid-H{sub 2}O. Its framework is built up through carboxyl bridged copper where CuO{sub 6} octahedra are elongated with an almost D{sub 4h} symmetry (4+2) due to the Jahn-Teller effect. The magnetic properties were studied by measuring its magnetic susceptibility in the temperature range of 2-300 K indicating the existence of weak ferromagnetic interactions. The electronic structure of [Cumal] was calculated within the density functional theory (DFT) framework. Structural features are well reproduced using DFT structural optimizations and the optical spectra, calculated within the dielectric formalism, explain very well the light blue colour of the compound. It is shown that a GGA+U approach with a U{sub eff} value of about 6 eV is necessary for a better correlation with the experiment. - Graphical abstract: [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: the first 3D hybrid organic-inorganic compound built up carboxyl groups. The network presents a diamond-like structure achieved via carboxyl. Highlights: Black-Right-Pointing-Pointer A new organic-inorganic material with an unprecedented topology is synthesized. Black-Right-Pointing-Pointer Crystallographic structure is determined using single crystal X-ray diffraction. Black-Right-Pointing-Pointer Electronic structure is obtained from DFT, GGA+U calculation. Black-Right-Pointing-Pointer Framework can be described as formed from CuC{sub 4} tetrahedron sharing four corners. Black-Right-Pointing-Pointer This structure can be classified as an extended diamond structure.

  9. Thermal decomposition of Cu(NO{sub 3}){sub 2}{center_dot}3H{sub 2}O at reduced pressures

    Energy Technology Data Exchange (ETDEWEB)

    Morozov, I.V.; Znamenkov, K.O.; Korenev, Yu.M.; Shlyakhtin, O.A

    2003-07-28

    Thermolysis of Cu(NO{sub 3}){sub 2}{center_dot}3H{sub 2}O is studied by means of XRD analysis in situ and mass spectral analysis of the gas phase at P=1/10 Pa at low heating rate. It is shown that stage I of the dehydration (40-80 deg. C) results in the consecutive appearance of crystalline Cu(NO{sub 3}){sub 2}{center_dot}2.5H{sub 2}O and Cu(NO{sub 3}){center_dot}H{sub 2}O. Anhydrous Cu(NO{sub 3}){sub 2} formed during further dehydration at 80-110 deg. C is moderately sublimed at 120-150 deg. C. Dehydration is accompanied by thermohydrolysis, leading to the appearance of Cu{sub 2}(OH){sub 3}NO{sub 3} and gaseous H{sub 2}O, HNO{sub 3}, NO{sub 2}, and H{sub 2}O. The higher pressure in the system, the larger amount of thermohydrolysis products is observed. The formation of the crystalline intermediate CuO{sub x}(NO{sub 3}){sub y} was observed by diffraction methods. Final product of thermolysis (CuO) is formed at 200-250 deg. C.

  10. Effect of different uranium compounds on the properties of U-Pt-Y-Ba-O double-perovskite pinning centres in textured Y-Ba-Cu-O superconductor

    Energy Technology Data Exchange (ETDEWEB)

    Sawh, Ravi-Persad; Weinstein, Roy; Parks, Drew; Gandini, Alberto [Beam Particle Dynamics Laboratories, University of Houston, Houston, TX 77204-5005 (United States); Department of Physics, University of Houston, Houston, TX 77204-5005 (United States); Texas Center for Superconductivity and Advanced Materials, University of Houston, Houston, TX 77204-5005 (United States)

    2005-02-01

    An experiment was performed to test the effect of different uranium compounds on the properties of chemical pinning centres. UO{sub 2}, UO{sub 3}, and UO{sub 4}{center_dot}2H{sub 2}O wereadmixed to Y 123+Pt, and textured. Tests of J{sub c} via measurements of trapped field (B{sub trap}) indicate a clear dependence of B{sub trap} on the U compound admixed to create the pinning centres. In all three cases there is a monotonic increase in B{sub trap} as the mass (M{sub U}) of U is increased. However, the magnitude of the increase in B{sub trap} depends on the admixed U compound. The highest increase in B{sub trap} is measured in samples doped with UO{sub 4}{center_dot}2H{sub 2}O, and the lowest is obtained in samples doped with UO{sub 2}. Microstructure studies indicate that the composition of the U-rich pinning deposits is the same in all three cases, i.e. all are the previously identified (U{sub 0.6}Pt{sub 0.4})Y Ba{sub 2}O{sub 6} compound. The primary difference among the three types of samples is that the size of the U-Pt-Y-Ba-O pinning deposits depends on the admixed U compound. While all are in the nanometre domain, the diameter of these deposits was markedly larger in UO{sub 2} doped samples than in UO{sub 3} doped samples, and smallest in UO{sub 4}{center_dot}2H{sub 2}O doped samples. Because some form of poisoning limits the amount of U that can be added to create pinning centres, to M{sub U} {approx}1 wt%, smaller deposits result in a greater number of pinning centres. We conclude that UO{sub 4}{center_dot}2H{sub 2}O is more effective than either UO{sub 3} or UO{sub 2} in the formation of U-Pt-Y-Ba-O pinning centres because of diminished pinning centre size, and consequent increase in pinning centre density.

  11. Preparation, optical, and photocatalytic studies of defect pyrochlores: KCr{sub 0.33}W{sub 1.67}O{sub 6} and A{sub x}Cr{sub 0.33}W{sub 1.67}O{sub 6}{center_dot}nH{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Ravi, G.; Veldurthi, Naveen Kumar [Osmania University, Department of Chemistry (India); Prasad, Muvva D. [University of Hyderabad, School of Chemistry (India); Muniratnam, N. R. [Centre for Materials Electronics Technology (C-MET) (India); Prasad, G. [Osmania University, Department of Physics (India); Vithal, M., E-mail: mugavithal@gmail.com [Osmania University, Department of Chemistry (India)

    2013-09-15

    Nano sized defect pyrochlores of compositions KCr{sub 0.33}W{sub 1.67}O{sub 6} and A{sub x}Cr{sub 0.33}W{sub 1.67}O{sub 6}{center_dot}nH{sub 2}O (A = Sn, Ag, Bi, Sm, Eu, and Gd) have been synthesized by sol-gel and ion exchange methods, respectively. These oxides were characterized by thermogravimetric analysis, powder X-ray diffraction, energy dispersive spectra, transmission electron microscopy, UV-Vis diffuse reflectance spectra, Raman spectra, and Fourier transform infrared spectra. Spontaneous exchange of K{sup +} with A ion is accompanied by insertion of water also into the lattice. KCr{sub 0.33}W{sub 1.67}O{sub 6} and A{sub x}Cr{sub 0.33}W{sub 1.67}O{sub 6}{center_dot}nH{sub 2}O crystallize in cubic lattice and isomorphous with KSbWO{sub 6}. The optical properties of Cr{sup 3+} were investigated. Substitution of K{sup +} by A ion leads to a shift of absorption onset to longer wavelengths marginally. The Raman spectra of all the samples are characteristic of defect pyrochlore system. The photocatalytic degradation of methylene blue aqueous solution was investigated using these oxides. The results obtained were fitted with the Langmuir-Hinshelwood model to study the degradation kinetics. Both Sn{sup 2+} and Bi{sup 3+}-doped KCr{sub 0.33}W{sub 1.67}O{sub 6} exhibit higher photoactivity in the degradation of methylene blue. The structure/composition of the photocatalyst remains the same even after fourth cycle of photodegradation.

  12. Ground and excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters: Insight into the electronic structure of the [Fe(H2O)6]2+ – [Fe(H2O)6]3+ complex

    Energy Technology Data Exchange (ETDEWEB)

    Miliordos, Evangelos; Xantheas, Sotiris S.

    2015-04-14

    We report the ground and low lying electronically excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters using multi-configuration electronic structure theory. In particular, we have constructed the Potential Energy Curves (PECs) with respect to the iron-oxygen distance when removing all water ligands at the same time from the cluster minima and established their correlation to the long range dissociation channels. Due to the fact that both the second and third ionization potentials of iron are larger than the one for water, the ground state products asymptotically correlate with dissociation channels that are repulsive in nature at large separations as they contain at least one H2O+ fragment and a positive metal center. The most stable equilibrium structures emanate – via intersections and/or avoided crossings – from the channels consisting of the lowest electronic states of Fe2+(5D; 3d6) or Fe3+(6S; 3d5) and six neutral water molecules. Upon hydration, the ground state of Fe2+(H2O)6 is a triply (5Tg) degenerate one with the doubly (5Eg) degenerate state lying slightly higher in energy. Similarly, Fe3+(H2O)6 has a ground state of 6Ag symmetry under Th symmetry. We furthermore examine a multitude of electronically excited states of many possible spin multiplicities, and report the optimized geometries for several selected states. The PECs for those cases are characterized by a high density of states. Focusing on the ground and the first few excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters, we studied their mutual interaction in the gas phase. We obtained the optimal geometries of the Fe2+(H2O)6 – Fe3+(H2O)6 gas phase complex for different Fe–Fe distances. For distances shorter than 6.0 Å, the water molecules in the respective first solvation shells located between the two metal centers were found to interact via weak hydrogen bonds. We examined a total of ten electronic states for this complex, including those corresponding to the

  13. Ferroelectric TGS ((NH sub 2 CH sub 2 COOH) sub 3 centre dot H sub 2 SO sub 4) under high pressure

    CERN Document Server

    Kobayashi, Y; Furuta, H; Endo, S; Deguchi, K

    2002-01-01

    The ferroelectric transition temperature T sub c of (NH sub 2 CH sub 2 COOH) sub 3 centre dot H sub 2 SO sub 4 (TGS), which is a typical order-disorder-type ferroelectric, was determined by dielectric constant and Raman scattering measurements under high pressure. T sub c increased, passed through a maximum and then decreased slightly with increasing pressure, and then abruptly dropped at about 2.5 GPa, where a transition to a new high-pressure phase was confirmed to exist. A tentative p-T phase diagram was proposed for TGS.

  14. Strong enhancement of the chemiluminescence of the Cu(II)-H2O2 system on addition of carbon nitride quantum dots, and its application to the detection of H2O2 and glucose.

    Science.gov (United States)

    Hallaj, Tooba; Amjadi, Mohammad; Song, Zhenlun; Bagheri, Robabeh

    2017-12-19

    The authors report that carbon nitride quantum dots (CN QDs) exert a strong enhancing effect on the Cu(II)/H 2 O 2 chemiluminescent system. Chemiluminescence (CL) intensity is enhanced by CN QDs by a factor of ~75, while other carbon nanomaterials have a much weaker effect. The possible mechanism of the effect was evaluated by recording fluorescence and CL spectra and by examining the effect of various radical scavengers. Emitting species was found to be excited-state CN QDs that produce green CL peaking at 515 nm. The new CL system was applied to the sensitive detection of H 2 O 2 and glucose (via glucose oxidase-catalyzed formation of H 2 O 2 ) with detection limits (3σ) of 10 nM for H 2 O 2 and 100 nM for glucose. The probe was employed for glucose determination in human plasma samples with satisfactory results. Graphical abstract The effect of carbon nitride quantum dots (CN QDs) on Cu(II)-H 2 O 2 chemiluminescence reaction was studied and the new CL system was applied for sensitive detection of glucose based on the glucose oxidase (GOx)-catalyzed formation of H 2 O 2 .

  15. Impact of D2O/H2O Solvent Exchange on the Emission of HgTe and CdTe Quantum Dots: Polaron and Energy Transfer Effects.

    Science.gov (United States)

    Wen, Qiannan; Kershaw, Stephen V; Kalytchuk, Sergii; Zhovtiuk, Olga; Reckmeier, Claas; Vasilevskiy, Mikhail I; Rogach, Andrey L

    2016-04-26

    We have studied light emission kinetics and analyzed carrier recombination channels in HgTe quantum dots that were initially grown in H2O. When the solvent is replaced by D2O, the nonradiative recombination rate changes highlight the role of the vibrational degrees of freedom in the medium surrounding the dots, including both solvent and ligands. The contributing energy loss mechanisms have been evaluated by developing quantitative models for the nonradiative recombination via (i) polaron states formed by strong coupling of ligand vibration modes to a surface trap state (nonresonant channel) and (ii) resonant energy transfer to vibration modes in the solvent. We conclude that channel (i) is more important than (ii) for HgTe dots in either solution. When some of these modes are removed from the relevant spectral range by the H2O to D2O replacement, the polaron effect becomes weaker and the nonradiative lifetime increases. Comparisons with CdTe quantum dots (QDs) served as a reference where the resonant energy loss (ii) a priori was not a factor, also confirmed by our experiments. The solvent exchange (H2O to D2O), however, is found to slightly increase the overall quantum yield of CdTe samples, probably by increasing the fraction of bright dots in the ensemble. The fundamental study reported here can serve as the foundation for the design and optimization principles of narrow bandgap quantum dots aimed at applications in long wavelength colloidal materials for infrared light emitting diodes and photodetectors.

  16. Trapping {BW12}2 tungstoborate: synthesis and crystal structure of hybrid [{(H2BW12O42)2O}{Mo6O6S6(OH)4(H2O)2}]14- anion.

    Science.gov (United States)

    Korenev, V S; Abramov, P A; Vicent, C; Mainichev, D A; Floquet, S; Cadot, E; Sokolov, M N; Fedin, V P

    2012-12-28

    Reaction between monolacunary {BW(11)} tungstoborate and oxothiocationic building block, {Mo(2)O(2)S(2)}, results in the formation of a new polyoxothiometalate with a unique architecture in which two [H(2)BW(12)O(43)](9-) tungstoborate subunits are linked together with a hexamolybdate [Mo(V)(6)O(6)S(6)(OH)(4)(H(2)O)(2)](2+) bridge.

  17. Systems Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O at 25 deg C. Sistemy Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O pri 25 grad S

    Energy Technology Data Exchange (ETDEWEB)

    Skvortsov, V G; Sadetdinov, Sh V; Akimov, V M; Mitrasov, Yu N; Petrova, O V; Klopov, Yu N [Chuvashskij Gosudarstvennyj Pedagogicheskij Inst., Cheboksary (Russian Federation) Universitet Druzhby Narodov, Moscow (Russian Federation)

    1994-02-01

    Phase equilibriums in the Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM[sub 2]B[sub 4]O[sub 7][center dot]nN[sub 2]H[sub 3]C[sub 2]H[sub 4]OH[center dot]XH[sub 2]O, where M=Li, Na with hydrazine ethanol. K[sub 2]B[sub 4]O[sub 7][center dot]4H[sub 2]O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods.

  18. Enhancement effect of CdTe quantum dots-IgG bioconjugates on chemiluminescence of luminol-H2O2 system

    International Nuclear Information System (INIS)

    Kanwal, Shamsa; Traore, Zoumana; Zhao Chunfang; Su Xingguang

    2010-01-01

    In this paper we developed an entirely new and highly sensitive luminol-H 2 O 2 flow injection chemiluminescence system using the enhancement effect of CdTe quantum dots-IgG bioconjugates. Immunoglobulin G (IgG) as a kind of bio-molecule was conjugated to different sized CdTe semiconductor quantum dots (QDs). Using PL spectra and CL intensity profiles, it was found that chemiluminescence resonance energy transfer (CRET) was possibly occurring between CdTe-IgG bioconjugate and luminol. Under optimum conditions, increase of IgG concentration in CdTe-IgG bioconjugate resulted enhancing effect on CL intensity of luminol-H 2 O 2 system. Moreover quenching effects on CL intensity by addition of different proteases can construct turn off biosensor for these proteases with low detection limits and wide linear range. Furthermore, the effects of various organic and inorganic species on CdTe-IgG bioconjugates enhanced luminol-H 2 O 2 CL system were also studied in this paper.

  19. A novel chemiluminescence method for determination of bisphenol Abased on the carbon dot-enhanced HCO3−–H2O2 system

    International Nuclear Information System (INIS)

    Amjadi, Mohammad; Manzoori, Jamshid L.; Hallaj, Tooba

    2015-01-01

    A simple and sensitive chemiluminescence (CL) method on the basis of carbon dot (C-dot) enhanced HCO 3 − –H 2 O 2 system, is designed for the determination of bisphenol A (BPA). The very weak CL of the HCO 3 − –H 2 O 2 system is enhanced by a factor of ∼100 in the presence of C-dots. Possible mechanisms that lead to the effect were elucidated by recording fluorescence and CL spectra and studying the effect of some radical scavengers. This enhancement is inhibited by BPA in the concentration range from 1.0 to 100 µg L −1 . This is exploited for its trace determination with a detection limit (3 s) of 0.3 µg L −1 . The established method was applied to the determination of BPA in baby bottle and water samples with satisfactory results. - Highlights: • The effect of carbon dots on HCO 3 − –H 2 O 2 chemiluminescence reaction is studied. • Carbon dots greatly enhance the CL signal of this reaction (∼100 fold). • The new CL system was applied to determination of bisphenol A in real samples

  20. Supramolecular assemblies in [Cu(L-Arg){sub 2}(H{sub 2}O)]C{sub 2}O{sub 4}·6H{sub 2}O complex – Structural, spectroscopic, magnetic and thermal behavior

    Energy Technology Data Exchange (ETDEWEB)

    Wojciechowska, Agnieszka, E-mail: agnieszka.wojciechowska@pwr.edu.pl [Faculty of Chemistry, Wroclaw University of Technology, Wybrzeze Wyspiańskiego 27, 50-370, Wrocław (Poland); Kochel, Andrzej [Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14, 50-383, Wrocław (Poland); Duczmal, Marek [Faculty of Chemistry, Wroclaw University of Technology, Wybrzeze Wyspiańskiego 27, 50-370, Wrocław (Poland)

    2016-10-01

    The reaction of L-arginine and oxalate ions with copper(II) salts yields a new complex with formula of [Cu(L-Arg){sub 2}(H{sub 2}O)]·C{sub 2}O{sub 4}·6H{sub 2}O (1) (where L-Arg = L-arginine). Single crystals of 1 were synthesized by crystallization from aqueous solution. The complex properties were characterized by X-ray diffraction, spectroscopy (FT-IR, FT-Raman, NIR-Vis-UV and EPR) as well as thermal and magnetic methods. The square pyramidal (SP) geometry around Cu(II) ions in [Cu(L-Arg){sub 2}(H{sub 2}O)]{sup 2+} cation complex is formed by two cis-chelated L-arginine zwitterions and a water molecule coordinated in the apex of square pyramid. The trigonality distortion of SP geometry is relatively small, τ = 0.0087. The solid state EPR spectrum showed broad hyperfine splitting with g{sub ⊥} = 2.061 at 77 K. The copper centres distanced at 7.558(5) Å are joined in a single zig-zag structure via a chain based on the combination of Cu−O(5)−H(29)⋯O(2)−C1−O1−Cu hydrogen bonds along the b axis (d (O2O5) = 2.812 Å). Taking into account the structural features, the magnetic susceptibility data were best-fitted, giving the exchange parameter J = −0.16 cm{sup −1}. Complex 1 is thermally stable up to 66 °C, where it was observed to lose the crystallization water molecules with an 11.7% mass loss (calc. 11.5%). - Highlights: • Crystal and molecular structure of [Cu(L-Arg){sub 2}(H{sub 2}O)]C{sub 2}O{sub 4}·6H{sub 2}O crystals have been studied. • The magnetic interactions of Cu(II) centres are assisted by the formation of single zig-zag chain. • Role of oxalate ions in completed relatively small square pyramid distortion is described. • The cis-fashioned L-arginine created the stronger ligand field than trans-configuration.

  1. Vibrational spectra of Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·nH2O (n = 4, 6) with a crystal structure determination of the Tutton salt Cs2Cu(SeO4)2·6H2O

    Science.gov (United States)

    Wildner, M.; Marinova, D.; Stoilova, D.

    2016-02-01

    The solubility in the three-component systems Cs2SO4-CuSO4-H2O and Cs2SeO4-CuSeO4-H2O have been studied at 25 °C. The experimental results show that double salts, Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·4H2O, crystallize from the ternary solutions within large concentration ranges. Crystals of Cs2Cu(SeO4)2·6H2O were synthesized at somewhat lower temperatures (7-8 °C). The thermal dehydration of the title compounds was studied by TG, DTA and DSC methods and the respective dehydration schemes are proposed. The calculated enthalpies of dehydration (ΔHdeh) have values of: 434.2 kJ mol-1 (Cs2Cu(SeO4)2·6H2O), 280.9 kJ mol-1 (Cs2Cu(SeO4)2·4H2O), and 420.2 kJ mol-1 (the phase transition of Cs2Cu(SO4)2·6H2O into Cs2Cu(SO4)2·H2O). The crystal structure of Cs2Cu(SeO4)26H2O was determined from single crystal X-ray diffraction data. It belongs to the group of Tutton salts, crystallizing isotypic to the respective sulfate in a monoclinic structure which is characterized by isolated Cu(H2O)6 octahedra and SeO4 tetrahedra, interlinked by hydrogen bonds and [9]-coordinated Cs+ cations. Infrared spectra of the cesium copper compounds are presented and discussed with respect to both the normal modes of the tetrahedral ions and the water molecules. The analysis of the infrared spectra of the double compounds reveals that the distortion of the selenate tetrahedra in Cs2Cu(SeO4)2·4H2O is stronger than those in Cs2Cu(SeO4)2·6H2O in agreement with the structural data. Matrix-infrared spectroscopy was applied to confirm this claim - Δν3 for SO4 2 - ions matrix-isolated in Cs2Cu(SeO4)2·6H2O has a value of 35 cm-1 and that of the same ions included in Cs2Cu(SeO4)2·4H2O - 84 cm-1. This spectroscopic finding is due to the formation of strong covalent bands Cu-OSO3 on one hand, and on the other to the stronger deformation of the host SeO4 2 - tetrahedra in Cs2Cu(SeO4)2·4H2O as compared to those in Cs2Cu(SeO4)2·6H2O. The strength of the hydrogen bonds as deduced from the

  2. Production of graphene quantum dots by ultrasound-assisted exfoliation in supercritical CO2/H2O medium.

    Science.gov (United States)

    Gao, Hanyang; Xue, Chen; Hu, Guoxin; Zhu, Kunxu

    2017-07-01

    In this research, three kinds of graphene quantum dots (GQDs)-pristine graphene quantum dots (PGQDs), expanded graphene quantum dots (EGQDs) and graphene oxide quantum dots (GOQDs)-were produced from natural graphite, expanded graphite, and oxide graphite respectively in an ultrasound-assisted supercritical CO 2 (scCO 2 )/H 2 O system. The effects of aqueous solution content ratio, system pressure, and ultrasonic power on the yields of different kinds of GQDs were investigated. According to these experiment results, the combination of the intense knocking force generated from high-pressure acoustic cavitation in a scCO 2 /H 2 O system and the superior penetration ability of scCO 2 was considered to be the key to the successful exfoliation of such tiny pieces from bulk graphite. An interesting result was found that, contrary to common experience, the yield of PGQDs from natural graphite was much higher than that of GOQDs from graphite oxide. Based on the experimental analysis, the larger interlayer resistance of natural graphite, which hindered the insertion of scCO 2 molecules, and the hydrophobic property of natural graphite surface, which made the planar more susceptible to the attack of ultrasonic collapsing bubbles, were deduced to be the two main reasons for this result. The differences in characteristics among the three kinds of GQDs were also studied and compared in this research. In our opinion, this low-cost and time-saving method may provide an alternative green route for the production of various kinds of GQDs, especially PGQDs. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Intense Visible Luminescence in CdSe Quantum Dots by Efficiency Surface Passivation with H2O Molecules

    Directory of Open Access Journals (Sweden)

    Hyeoung Woo Park

    2012-01-01

    Full Text Available We have investigated the effect of water (H2O cooling and heat treatment on the luminescence efficiency of core CdSe quantum dots (QDs. The photoluminescence (PL quantum yield of the CdSe QDs was enhanced up to ~85%, and some periodic bright points were observed in wide color ranges during the heat treatment of QDs mixed with H2O. The PL enhancement of QDs could be attributed to the recovery of QDs surface traps by unreacted ligands confined within the hydrophilic H2O molecule containers.

  4. Crystal structures of ZnCl2·2.5H2O, ZnCl2·3H2O and ZnCl2·4.5H2O

    Directory of Open Access Journals (Sweden)

    Erik Hennings

    2014-12-01

    Full Text Available The formation of different complexes in aqueous solutions is an important step in understanding the behavior of zinc chloride in water. The structure of concentrated ZnCl2 solutions is governed by coordination competition of Cl− and H2O around Zn2+. According to the solid–liquid phase diagram, the title compounds were crystallized below room temperature. The structure of ZnCl2·2.5H2O contains Zn2+ both in a tetrahedral coordination with Cl− and in an octahedral environment defined by five water molecules and one Cl− shared with the [ZnCl4]2− unit. Thus, these two different types of Zn2+ cations form isolated units with composition [Zn2Cl4(H2O5] (pentaaqua-μ-chlorido-trichloridodizinc. The trihydrate {hexaaquazinc tetrachloridozinc, [Zn(H2O6][ZnCl4]}, consists of three different Zn2+ cations, one of which is tetrahedrally coordinated by four Cl− anions. The two other Zn2+ cations are each located on an inversion centre and are octahedrally surrounded by water molecules. The [ZnCl4] tetrahedra and [Zn(H2O6] octahedra are arranged in alternating rows parallel to [001]. The structure of the 4.5-hydrate {hexaaquazinc tetrachloridozinc trihydrate, [Zn(H2O6][ZnCl4]·3H2O}, consists of isolated octahedral [Zn(H2O6] and tetrahedral [ZnCl4] units, as well as additional lattice water molecules. O—H...O hydrogen bonds between the water molecules as donor and ZnCl4 tetrahedra and water molecules as acceptor groups leads to the formation of a three-dimensional network in each of the three structures.

  5. Experimental studies on cycling stable characteristics of inorganic phase change material CaCl2·6H2O-MgCl2·6H2O modified with SrCl2·6H2O and CMC

    Science.gov (United States)

    He, Meizhi; Yang, Luwei; Zhang, Zhentao

    2018-01-01

    By means of mass ratio method, binary eutectic hydrated salts inorganic phase change thermal energy storage system CaCl2·6H2O-20wt% MgCl2·6H2O was prepared, and through adding nucleating agent 1wt% SrCl2·6H2O and thickening agent 0.5wt% carboxy methyl cellulose (CMC), inoganic phase change material (PCM) modified was obtained. With recording cooling-melting curves simultaneously, this PCM was frozen and melted for 100 cycles under programmable temperature control. After per 10 cycles, the PCM was charaterized by differential scanning calorimeter (DSC), X-ray diffraction (XRD) and density meter, then analysing variation characteristics of phase change temperature, supercooling degree, superheat degree, latent heat, crystal structure and density with the increase of cycle index. The results showed that the average values of average phase change temperature for cooling and heating process were 25.70°C and 27.39°C respectively with small changes. The average values of average supercooling and superheat degree were 0.59°C and 0.49°C respectively, and the maximum value was 1.10°C. The average value and standard deviation of latent heat of fusion were 120.62 J/g and 1.90 J/g respectively. Non-molten white solid sediments resulted from phase separation were tachyhydrite (CaMg2Cl6·12H2O), which was characterized by XRD. Measuring density of the PCM after per 10 cycles, and the results suggested that the total mass of tachyhydrite was limited. In summary, such modified inoganic PCM CaCl2·6H2O-20wt% MgCl2·6H2O-1wt% SrCl2·6H2O-0.5wt% CMC could stay excellent circulation stability within 100 cycles, and providing reference value in practical use.

  6. Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

    Science.gov (United States)

    Ahmad, Bhat Zahoor; Want, Basharat

    2016-04-01

    We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C4H5O6)(C4H4O6)][3H2O]. X-ray crystal structure analyses reveal that it crystallizes in the P41212 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau- Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

  7. Magnetocaloric effect in gadolinium-oxalate framework Gd2(C2O4)3(H2O)6⋅(0⋅6H2O)

    International Nuclear Information System (INIS)

    Sibille, Romain; Didelot, Emilie; Mazet, Thomas; Malaman, Bernard; François, Michel

    2014-01-01

    Magnetic refrigerants incorporating Gd 3+ ions and light organic ligands offer a good balance between isolation of the magnetic centers and their density. We synthesized the framework material Gd 2 (C 2 O 4 ) 3 (H 2 O) 6 ⋅0.6H 2 O by a hydrothermal route and characterized its structure. The honeycomb lattice of Gd 3+ ions interlinked by oxalate ligands in the (a,c) plane ensures their decoupling in terms of magnetic exchange interactions. This is corroborated by magnetic measurements indicating negligible interactions between the Gd 3+ ions in this material. The magnetocaloric effect was evaluated from isothermal magnetization measurements. The maximum entropy change −ΔS M max reaches 75.9 mJ cm −3 K −1 (around 2 K) for a moderate field change (2 T)

  8. Quasielastic neutron scattering and infra-red band contour study of H2O reorientations in [Ni(H2O)6] (ClO4)2

    International Nuclear Information System (INIS)

    Janik, J.A.; Janik, J.M.; Otnes, K.; Stanek, T.

    1980-01-01

    IR band contour measurements carried out for [Ni(H 2 O) 6 ] (ClO 4 ) 2 revealed an existence of fast H 2 O 180 deg flips around Ni-O axes at room temperatures. These flips were subjected to a more accurate study by the quasielastic neutron scattering method. Correlation times of the order of picosecond were obtained for room temperatures and the barrier to rotation of ca. 7 kcal/mole. The results are compared to those previously obtained for [Mg(H 2 O) 6 ] (ClO 4 ) 2 and also to those for [Ni(NH 3 ) 6 ] (ClO 4 ) 2 and [Mg(NH 3 ) 6 ] (ClO 4 ) 2 . (author)

  9. Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

    International Nuclear Information System (INIS)

    Ahmad, Bhat Zahoor; Want, Basharat

    2016-01-01

    We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C 4 H 5 O 6 )(C 4 H 4 O 6 )][3H 2 O]. X-ray crystal structure analyses reveal that it crystallizes in the P4 1 2 1 2 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau– Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

  10. Structuring effects of [Ln6O(OH)8(NO3)6(H2O)12]2+ entities

    International Nuclear Information System (INIS)

    Guillou, O.; Daiguebonne, C.; Calvez, G.; Le Dret, F.; Car, P.-E.

    2008-01-01

    In order to obtain highly porous lanthanide-based coordination polymers we are currently investigating reactions between [Ln 6 O(OH) 8 (NO 3 ) 6 (H 2 O) 12 ] 2+ di-cationic hexanuclear entities and sodium salts of benzene-poly-carboxylic acids. Two new coordination polymers obtained during this study are reported here. In both cases, the hexanuclear entity has been destroyed during the reaction. However the resulting compounds are original thanks to a structuring effect of the poly-metallic complex. The first compound of chemical formula [Y 2 (C 8 H 4 O 4 ) 3 (DMF)(H 2 O)],2DMF crystallizes in the monoclinic system, space group P121/n (n o 14) with a = 16.0975(3) A, b = 14.4605(3) A, c = 17.7197(4) A, β = 92.8504(9) o and Z = 4. The second compound of chemical formula Y 2 (NO 3 ) 2 (C 10 H 2 O 8 )(DMF) 4 crystallizes in the triclinic system, space group P-1 (n o 2) with a = 7.5312(3) A, b = 9.0288(3) A, c = 13.1144(6) A, α = 92.6008(14) o , β = 94.9180(14) o , γ = 112.1824(16) o and Z = 2. Both crystal structures are 2D. Both crystal structures are described and the original structural features are highlighted and related to a potential structuring effect of the hexanuclear precursor

  11. Facile hydrothermal synthesis of polyhedral Fe{sub 3}O{sub 4} nanocrystals, influencing factors and application in the electrochemical detection of H{sub 2}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Yuan Kefeng [College of Chemistry and Materials Science, Anhui Key Laboratory of Functional Molecular Solids, Anhui Normal University, Wuhu 241000 (China); Ni Yonghong, E-mail: niyh@mail.ahnu.edu.cn [College of Chemistry and Materials Science, Anhui Key Laboratory of Functional Molecular Solids, Anhui Normal University, Wuhu 241000 (China); Zhang Li [College of Chemistry and Materials Science, Anhui Key Laboratory of Functional Molecular Solids, Anhui Normal University, Wuhu 241000 (China)

    2012-08-15

    Highlights: Black-Right-Pointing-Pointer Fe{sub 3}O{sub 4} polyhedra had been successfully synthesized by a facile hydrothermal technology. Black-Right-Pointing-Pointer The as-obtained product exhibited the room-temperature ferrimagnetic property. Black-Right-Pointing-Pointer The final product could be prepared into an electrochemical sensor for the detection of H{sub 2}O{sub 2}. - Abstract: Polyhedral Fe{sub 3}O{sub 4} nanocrystals have been successfully synthesized by a facile hydrothermal technique, employing FeSO{sub 4}{center_dot}7H{sub 2}O, N{sub 2}H{sub 4} and NH{sub 3}{center_dot}H{sub 2}O as the reactants without the assistance of any surfactant. The phase of the as-obtained Fe{sub 3}O{sub 4} was characterized by X-ray powder diffraction (XRD) and further proved by Rietveld refinement of XRD data. Energy dispersive spectrometry (EDS) and scanning electron microscopy (SEM) were used for the composition and morphology analyses of the final product. Some factors influencing the formation of polyhedral Fe{sub 3}O{sub 4} nanocrystals were systematically investigated, including the reaction temperature and time, and the original volume ratio of NH{sub 3}{center_dot}H{sub 2}O/N{sub 2}H{sub 4}{center_dot}H{sub 2}O. It was found that the as-prepared Fe{sub 3}O{sub 4} polyhedra exhibited a good electrochemical property in 0.1 M phosphate buffer solution (PBS) with pH 7.0 and could be prepared into an electrochemical sensor for the detection of H{sub 2}O{sub 2}. The linear response range of the sensor was 10.0 Multiplication-Sign 10{sup -6} to 140.0 Multiplication-Sign 10{sup -6} M and a sensitivity was 11.05 {mu}A/mM. Furthermore, the room-temperature magnetic property of the product was also investigated.

  12. Syntheses, crystal structures, and properties of the isotypic pair [Cr(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O and [In(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Van, Nguyen-Duc; Kleeberg, Fabian M.; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany)

    2015-11-15

    Single crystals of [Cr(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O and [In(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O were obtained by reactions of aqueous solutions of the acid (H{sub 3}O){sub 2}[B{sub 12}H{sub 12}] with chromium(III) hydroxide and indium metal shot, respectively. The title compounds crystallize isotypically in the trigonal system with space group R anti 3c (a = 1157.62(3), c = 6730.48(9) pm for the chromium, a = 1171.71(3), c = 6740.04(9) pm for the indium compound, Z = 6). The arrangement of the quasi-icosahedral [B{sub 12}H{sub 12}]{sup 2-} dianions can be considered as stacking of two times nine layers with the sequence..ABCCABBCA.. and the metal trications arrange in a cubic closest packed..abc.. stacking sequence. The metal trications are octahedrally coordinated by six water molecules of hydration, while another fifteen H{sub 2}O molecules fill up the structures as zeolitic crystal water or second-sphere hydrating species. Between these free and the metal-bonded water molecules, bridging hydrogen bonds are found. Furthermore, there is also evidence of hydrogen bonding between the anionic [B{sub 12}H{sub 12}]{sup 2-} clusters and the free zeolitic water molecules according to B-H{sup δ-}..{sup δ+}H-O interactions. Vibrational spectroscopy studies prove the presence of these hydrogen bonds and also show slight distortions of the dodecahydro-closo-dodecaborate anions from their ideal icosahedral symmetry (I{sub h}). Thermal decomposition studies for the example of [Cr(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O gave no hints for just a simple multi-stepwise dehydration process. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. On the Electronic Structure of [Cu(H2O)6]2+

    DEFF Research Database (Denmark)

    Tanaka, Kiyoshi; Johansen, Helge

    1997-01-01

    The electronic structure of the ground state and doublet excited states due to d-d transitions and charge transfer transitions from ligand to copper of [Cu(H2O)6]2+ are investigated by ab initio calculations. The excited states corresponding to the the d-d transitions are calculated to be 1.1 - 1...... on the description of these excited states. The chargetransfer excitations are predicted to start around 6.5 eV for [Cu(H2O)6]2+....

  14. Spontaneous polarization and pyroelectric effect in improper ferroelectrics-ferroelastics Gd2(MoO4)3 and Tb2(MoO4)3 at low temperature

    International Nuclear Information System (INIS)

    Matyjasik, S; Shaldin, Yu.V.

    2013-01-01

    Experimental dependencies for spontaneous polarization ΔP s (T) and pyroelectric coefficient γ s (T)for Gd 2 (MoO 4 ) 3 (GMO) and Tb 2 (MoO 4 ) 3 (TMO) reported here differs from those for intrinsic ferroelectrics. We found fundamental distinction in GMO and TMO samples behavior at their repolarization at the fixed temperatures 300 and 4.2 K. In TMO monodomainization temperature does not affect experimental data, while in GMO monodomainization at 4.2 K results in increase of ΔP s (T) by order of magnitude at 85 K and γ s (T) dependence shows well-defined anomalies, reaching a record magnitude of 3 centre dot 10 -4 C/(m 2 centre dot K) at T = 25 K. At T = 200 K the pyroelectric coefficients values are -1.45 centre dot 10 -6 C/(m 2 centre dot K) and-1.8 centre dot 10 -6 C/(m 2 centre dot K). Taking into account our data, results related to transformation of structure in (001) plane and symmetry reasons we suggested crystallographic model of GMO type improper ferroelectric. It is formed by four meso-tetrahedrons constructed of three coordination tetrahedrons MO 4 (a, b and c types). In the framework of this model we discuss the physical meaning of pseudodeviator Q 12 *, coefficient, that initiate the phase transition at T > 433 K from noncentrosymmetric phase (mm2) to another one (4-bar2m).

  15. Bis(2,6-dimethylanilinium diaquabis(dihydrogen diphosphato-κ2O,O′cobaltate(II

    Directory of Open Access Journals (Sweden)

    Ahlem Ben Saad

    2014-03-01

    Full Text Available In the title compound, (C8H12N2[Co(H2P2O72(H2O2], the Co2+ ion lies on a crystallographic inversion centre and adopts a slightly distorted octahedral CoO6 coordination geometry arising from two chelating diphosphate [H2P2O7]2− ligands and two trans water molecules. In the crystal, the components are linked by O—H...O, N—H...O and C—H...O hydrogen bonds and weak aromatic π–π stacking [shortest centroid–centroid separation = 3.778 (2 Å] interactions. (001 layers of alternating organic cations and complex inorganic anions are apparent.

  16. Local and Nanoscale Structure and Speciation in the PuO{sub 2+x-y}(OH){sub 2y} {center_dot}zH{sub 2}O System

    Energy Technology Data Exchange (ETDEWEB)

    Conradson, Steven D.; Begg, Bruce D.; Clark, David L.; Den Auwer, Christophe J.; Ding, Mei; Dorhout, Peter K.; Espinosa-Faller, Francisco J.; Gordon, Pamela L.; Haire, Richard G.; Hess, Nancy J.; Hess, Ryan F.; Keogh, D. Webster; Morales, Luis A.; Neu, Mary P.; Paviet-Hartmann, Patricia; Runde, Wolfgang; Tait, C DREW.; Veirs, D. Kirk; Villella, Phillip M.

    2004-09-26

    Pu L3 X-ray absorption fine structure spectra from 24 samples of PuO{sub 2+x} (and two related Pu substituted oxides), prepared by a variety of methods, demonstrate that (1) although the Pu sublattice remains the ordered part of the Pu distribution, the nearest-neighbor O atoms even at x = 0 are found in a multisite distribution with Pu-O distances consistent with the stable incorporation of OH{sup -} (and possibly H{sub 2}O and H{sup +}) into the PuO{sub 2} lattice; (2) the excess O from oxidation is found at Pu-O distances <1.9 {angstrom}, consistent with the multiply bound ''oxo''-type ligands found in molecular complexes of Pu(V) and Pu(VI); (3) the Pu associated with these oxo groups is most likely Pu(V), so that the excess O probably occurs as PuO{sub 2}{sup +} moieties that are aperiodically distributed through the lattice; and (4) the collective interactions between these defect sites most likely cause them to cluster so as give nanoscale heterogeneity in the form of domains that may have unusual reactivity, observed as sequential oxidation by H{sub 2}O at ambient conditions. The most accurate description of PuO{sub 2} is therefore actually PuO{sub 2+x-y}(OH){sub 2y} {center_dot} zH{sub 2}O, with pure, ordered, homogeneous PuO{sub 2} attained only when H{sub 2}O is rigorously excluded and the O activity is relatively low.

  17. Absolute linestrengths in the H2O2 nu6 band

    Science.gov (United States)

    May, Randy D.

    1991-01-01

    Absolute linestrengths at 295 K have been measured for selected lines in the nu6 band of H2O2 using a tunable diode-laser spectrometer. H2O2 concentrations in a flowing gas mixture were determined by ultraviolet (uv) absorption at 254 nm using a collinear infrared (ir) and uv optical arrangement. The measured linestrengths are approx. 60 percent larger than previously reported values when absorption by hot bands in H2O2 is taken into account.

  18. Study of NaBH4 reaction with RhCl3·4H2O and H2PtCl6·6H2O in dimethylformamide

    International Nuclear Information System (INIS)

    Khain, V.S.; Val'kova, V.P.

    1988-01-01

    Data on study of NaBH 4 reactions with RhCl 3 x4H 2 O and H 2 PtCl 6 x6H 2 O in dimethylformamide, which is a good solvent of both complex hydride and compounds of platinum metals are presented. Rhodium (3) and platinum (4) reduction by sodium tetrahydridoborate in dimethylformamide proceeds quantitatively up to element state. Depositions of powder-like rhodium and platinum or their sols stable up to 8 months are formed depending on the ratio of concentrations of the reacting substances. Stoichiometry of redox-reactions is established based on spectrophotometric, gasovolumetric measurements,

  19. Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).

    Science.gov (United States)

    Serezhkin, Viktor N; Grigoriev, Mikhail S; Abdulmyanov, Aleksey R; Fedoseev, Aleksandr M; Savchenkov, Anton V; Serezhkina, Larisa B

    2016-08-01

    Synthesis and X-ray crystallography of single crystals of [Mg(H2O)6][AnO2(C2H5COO)3]2, where An = U (I), Np (II), or Pu (III), are reported. Compounds I-III are isostructural and crystallize in the trigonal crystal system. The structures of I-III are built of hydrated magnesium cations [Mg(H2O)6](2+) and mononuclear [AnO2(C2H5COO)3](-) complexes, which belong to the AB(01)3 crystallochemical group of uranyl complexes (A = AnO2(2+), B(01) = C2H5COO(-)). Peculiarities of intermolecular interactions in the structures of [Mg(H2O)6][UO2(L)3]2 complexes depending on the carboxylate ion L (acetate, propionate, or n-butyrate) are investigated using the method of molecular Voronoi-Dirichlet polyhedra. Actinide contraction in the series of U(VI)-Np(VI)-Pu(VI) in compounds I-III is reflected in a decrease in the mean An═O bond lengths and in the volume and sphericity degree of Voronoi-Dirichlet polyhedra of An atoms.

  20. Effects of chlorides on the hydration of 12CaO{center_dot}7Al2O3 solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Sango, H.; Miyakawa, T.; Yasue, T.; Arai, Y. [Nihon Univ., Tokyo (Japan). Faculty of Science and Engineering

    1995-01-01

    The purpose of this paper was to compare the hydration rate of C12A7ss and to study the effects of chlorides on the hydration products and the hydration rate of C12A7ss. In this paper, `C12A7ss` is a general term for C11A7{center_dot}Ca(OH)2, 11CaO{center_dot}7Al2O3{center_dot}CaF2 and 11CaO{center_dot}7Al2O3{center_dot}CaCl2. The hydration process and the hydration rate of 12CaO{center_dot}7Al2O3 solution (C12A7ss) with and without various chlorides (CaCl2, MgCl2, NaCl, NH4Cl and AlCl3) has been determined at 25{degree}C. Various C12A7ss were prepared in burning method. When C12A7ss with various chlorides are hydrated, 3CaO{center_dot} Al2O3{center_dot}CaCl2{center_dot}10H2O(Friedel`s salt) is formed as the primary hydrate. The hydration rate of C12A7ss is decreased by the coexistence of CaCl2, MgCl2, NaCl or NH4Cl except AlCl3. As a result, the setting time of C12A7ss is extended and the unhydrate exists for a long time comparatively. 14 refs., 7 figs., 1 tab.

  1. The Influence of Defects on the Electron-Transfer and Magnetic Properties of RbxMn[Fe(CN)6]y·zH2O

    NARCIS (Netherlands)

    Vertelman, Esther J.M.; Maccallini, Enrico; Gournis, Dimitris; Rudolf, Petra; Bakas, Thomas; Luzon, Javier; Broer-Braam, Henderika; Pugzlys, Audrius; Lummen, Tom T.A.; van Loosdrecht, Paul H.M.; van Koningsbruggen, Petronella

    2006-01-01

    The synthesis and detailed characterization of a few samples of the compound RbxMn[Fe(CN)(6)](y)center dot zH(2)O are described. The composition of the materials significantly depends on the applied preparative conditions. Analysis of spectroscopic results (FTIR, Raman, Fe-57 Mossbauer, XPS) and

  2. Structurally characterized 1,1,3,3-tetramethylguanidine solvated magnesium aryloxide complexes: [Mg(mu-OEt)(DBP)(H-TMG)]2, [Mg(mu-OBc)(DBP)(H-TMG)]2, [Mg(mu-TMBA)(DBP)(H-TMG)]2, [Mg(mu-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2], [Mg(O-2,6-Ph2C6H3)2 (H-TMG)2].

    Science.gov (United States)

    Monegan, Jessie D; Bunge, Scott D

    2009-04-06

    The synthesis and structural characterization of several 1,1,3,3-tetramethylguanidine (H-TMG) solvated magnesium aryloxide complexes are reported. Bu(2)Mg was successfully reacted with H-TMG, HOC(6)H(3)(CMe(3))(2)-2,6 (H-DBP), and either ethanol, a carboxylic acid, or diphenyl phosphate in a 1:1 ratio to yield the corresponding [Mg(mu-L)(DBP)(H-TMG)](2) where L = OCH(2)CH(3) (OEt, 1), O(2)CC(CH(3))(3) (OBc, 2), O(2)C(C(6)H(2)-2,4,6-(CH(3))(3)) (TMBA, 3), or O(2)P(OC(6)H(5))(2) (DPP, 4). Bu(2)Mg was also reacted with two equivalents of H-TMG and HOC(6)H(3)(CMe(3))-2-(CH(3))-6 (BMP) or HO-2,6-Ph(2)C(6)H(3) to yield [Mg(BMP)(2)(H-TMG)(2)] (5) and [Mg(O-2,6-Ph(2)C(6)H(3))(2)(H-TMG)(2)] (6). Compounds 1-6 were characterized by single-crystal X-ray diffraction. Polymerization of l- and rac-lactide with 1 was found to generate polylactide (PLA). A discussion concerning the relevance of compounds 2 - 4 to the structure of Mg-activated phosphatase enzymes is also provided. The bulk powders for all complexes were found to be in agreement with the crystal structures based on elemental analyses, FT-IR spectroscopy, and (1)H, (13)C and (31)P NMR studies.

  3. A novel organic–inorganic hybrid with Anderson type polyanions as building blocks: (C{sub 6}H{sub 10}N{sub 3}O{sub 2}){sub 2}Na(H{sub 2}O){sub 2}[Al(OH){sub 6}Mo{sub 6}O{sub 18}]·6H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Thabet, Safa, E-mail: safathabet@hotmail.fr [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Ayed, Brahim, E-mail: brahimayed@yahoo.fr [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Haddad, Amor [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)

    2012-11-15

    Graphical abstract: Display Omitted Highlights: ► Synthesis of a novel inorganic–organic hybrid compound based on Anderson polyoxomolybdates. ► Characterization by X-ray diffraction, IR and UV–Vis spectroscopies of the new compound. ► Potential applications in catalysis, biochemical analysis and electrical conductivity of the organic–inorganic compound. -- Abstract: A new organic–inorganic hybrid compound based on Anderson polyoxomolybdates, (C{sub 6}H{sub 10}N{sub 3}O{sub 2}){sub 2}Na(H{sub 2}O){sub 2}[Al(OH){sub 6}Mo{sub 6}O{sub 18}]·6H{sub 2}O (1) have been isolated by the conventional solution method and characterized by single-crystal X-ray diffraction, infrared, ultraviolet spectroscopy and Thermogravimetric Analysis (TGA). This compound crystallized in the triclinic system, space group P−1, with a = 94.635(1) Å, b = 10.958(1) Å, c = 11.602(1) Å, α = 67.525(1)°, β = 71.049(1)°, γ = 70.124(1)° and Z = 1. The crystal structures of the compounds exhibit three-dimensional supramolecular assembly based on the extensive hydrogen bonding interactions between organic cations, sodium cations, water molecules and Anderson polyoxoanions. The infrared spectrum fully confirms the X-ray crystal structure and the UV spectrum of the title compound exhibits an absorption peak at 210 nm.

  4. Hydrothermal synthesis and structural characterization of an organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en)2(H2O)]4[Cu(en)2(H2O)2][Cu2Na4(α-SbW9O33)26H2O

    International Nuclear Information System (INIS)

    Liu, Yingjie; Cao, Jing; Wang, Yujie; Li, Yanzhou; Zhao, Junwei; Chen, Lijuan; Ma, Pengtao; Niu, Jingyang

    2014-01-01

    An organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en) 2 (H 2 O)] 4 [Cu(en) 2 (H 2 O) 2 ][Cu 2 Na 4 (α-SbW 9 O 33 ) 26H 2 O (1) has been synthesized by reaction of Sb 2 O 3 , Na 2 WO 4 ·2H 2 O, CuCl 2 ·2H 2 O with en (en=ethanediamine) under hydrothermal conditions and structurally characterized by elemental analysis, inductively coupled plasma atomic emission spectrometry, IR spectrum and single-crystal X-ray diffraction. 1 displays a centric dimeric structure formed by two equivalent trivacant Keggin [α-SbW 9 O 33 ] 9− subunits sandwiching a hexagonal (Cu 2 Na 4 ) cluster. Moreover, those related hexagonal hexa-metal cluster sandwiched tungstoantimonates have been also summarized and compared. The variable-temperature magnetic measurements of 1 exhibit the weak ferromagnetic exchange interactions within the hexagonal (Cu 2 Na 4 ) cluster mediated by the oxygen bridges. - Graphical abstract: An organic–inorganic hybrid (Cu 2 Na 4 ) sandwiched tungstoantimonate [Cu(en) 2 (H 2 O)] 4 [Cu (en) 2 (H 2 O) 2 ][Cu 2 Na 4 (α-SbW 9 O 33 ) 26H 2 O was synthesized and magnetic properties was investigated. Display Omitted - Highlights: • Organic–inorganic hybrid sandwich-type tungstoantimonate. • (Cu 2 Na 4 sandwiched) tungstoantimonate [Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ] 10− . • Ferromagnetic tungstoantimonate

  5. Protective effect of bone morphogenetic protein 6 on RPE cells injury caused by H2O2

    Directory of Open Access Journals (Sweden)

    Li Chen

    2016-01-01

    Full Text Available AIM:To investigate the effect of bone morphogenetic protein 6(BMP-6on cellular morphology, proliferation and apoptosis of retinal pigment epithelial cells(ARPE-19incubated in hydrogen peroxide(H2O2. METHODS:ARPE-19 cells were cultured conventionally and divided into four groups. One group was untreated as blank group, the other three groups were incubated in 75μm/L H2O2, 150ng/mLBMP-6 or75μm/L H2O2+150ng/mL BMP-6. All the groups were incubated for 3h, 6h, 9h and 12h. We tested the cell viabilitity by MTT. We used flow cytometry to test the cell cycle and cell apoptosis.RESULTS:H2O2 significantly decreased the cell activity in time-dependent manner. The activity of cells with BMP-6+H2O2 was higher H2O2 group, and the differences between the two groups at 3h and 6h were significant(P2O2, while the cells with BMP-6 were less cell detachment and apoptosis. CONCLUSION:BMP-6 has protective effects on RPE cells from oxidative stress in certain extent.

  6. Platelike WO3 sensitized with CdS quantum dots heterostructures for photoelectrochemical dynamic sensing of H2O2 based on enzymatic etching.

    Science.gov (United States)

    Wang, Yanhu; Gao, Chaomin; Ge, Shenguang; Yu, Jinghua; Yan, Mei

    2016-11-15

    A platelike tungsten trioxide (WO3) sensitized with CdS quantum dots (QDs) heterojunction is developed for solar-driven, real-time, and selective photoelectrochemical (PEC) sensing of H2O2 in the living cells. The structure is synthesized by hydrothermally growing platelike WO3 on fluorine doped tin oxide (FTO) and subsequently sensitized with CdS QDs. The as-prepared WO3-CdS QDs heterojunction achieve significant photocurrent enhancement, which is remarkably beneficial for light absorption and charge carrier separation. Based on the enzymatic etching of CdS QDs enables the activation of quenching the charge transfer efficiency, thus leading to sensitive PEC recording of H2O2 level in buffer and cellular environments. The results indicated that the proposed method will pave the way for the development of excellent PEC sensing platform with the quantum dot sensitization. This study could also provide a new train of thought on designing of self-operating photoanode in PEC sensing, promoting the application of semiconductor nanomaterials in photoelectrochemistry. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C{sub 4}H{sub 5}O{sub 6})(C{sub 4}H{sub 4}O{sub 6})][3H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Bhat Zahoor; Want, Basharat, E-mail: bawant@kashmiruniversity.ac.in [Solid State Research Laboratory, Department of Physics, University of Kashmir, Srinagar 190006 (India)

    2016-04-14

    We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C{sub 4}H{sub 5}O{sub 6})(C{sub 4}H{sub 4}O{sub 6})][3H{sub 2}O]. X-ray crystal structure analyses reveal that it crystallizes in the P4{sub 1}2{sub 1}2 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau– Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

  8. Highly luminescent S,N co-doped carbon quantum dots-sensitized chemiluminescence on luminol-H2 O2 system for the determination of ranitidine.

    Science.gov (United States)

    Chen, Jianqiu; Shu, Juan; Chen, Jiao; Cao, Zhiran; Xiao, An; Yan, Zhengyu

    2017-05-01

    S,N co-doped carbon quantum dots (N,S-CQDs) with super high quantum yield (79%) were prepared by the hydrothermal method and characterized by transmission electron microscopy, photoluminescence, UV-Vis spectroscopy and Fourier transformed infrared spectroscopy. N,S-CQDs can enhance the chemiluminescence intensity of a luminol-H 2 O 2 system. The possible mechanism of the luminol-H 2 O 2 -(N,S-CQDs) was illustrated by using chemiluminescence, photoluminescence and ultraviolet analysis. Ranitidine can quench the chemiluminescence intensity of a luminol-H 2 O 2 -N,S-CQDs system. So, a novel flow-injection chemiluminescence method was designed to determine ranitidine within a linear range of 0.5-50 μg ml -1 and a detection limit of 0.12 μg ml -1 . The method shows promising application prospects. Copyright © 2016 John Wiley & Sons, Ltd.

  9. Synthesis, crystal structure and characterization of a 1D polyoxometalate-based compound: {l_brace}[Pr(H{sub 2}O){sub 7}][CrMo{sub 6}H{sub 6}O{sub 24}]{r_brace} . 4H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Zhao Lijie; Shen Shuchang; Yu Haiming [Qiqihar Univ., HL (China). Dept. of Chemistry and Chemical Engineering

    2008-07-15

    A novel polyoxometalated-based compound, {l_brace}[Pr(H{sub 2}O){sub 7}][CrMo{sub 6}H{sub 6}O{sub 24}]{r_brace} . 4H{sub 2}O, was prepared and characterized by elemental analysis, infrared and ultraviolet spectroscopy, TG measurement and single crystal X-ray diffraction. A chain-like coordination polymer is formed from a heteropolyanion [CrMo{sub 6}H{sub 6}O{sub 24}]{sup 3} as a building unit and [Pr(H{sub 2}O){sub 7}]{sup 3+} cations as linker. The chains are linked into an extensive three-dimensional supramolecular network through hydrogen bonding. The synthesis of 1 is accomplished only from pre-synthesized Anderson clusters, but not from simple starting materials. (orig.)

  10. Magnesium hexafluoridozirconates MgZrF{sub 6}.5H{sub 2}O, MgZrF{sub 6}.2H{sub 2}O, and MgZrF{sub 6}. Structures, phase transitions, and internal mobility of water molecules

    Energy Technology Data Exchange (ETDEWEB)

    Gerasimenko, Andrey V.; Gaivoronskaya, Kseniya A.; Slobodyuk, Arseny B.; Didenko, Nina A. [Institute of Chemistry, Russian Academy of Sciences, Vladivostok (Russian Federation)

    2017-12-04

    The MgZrF{sub 6}.nH{sub 2}O (n = 5, 2 and 0) compounds were studied by the methods of X-ray diffraction and {sup 19}F, MAS {sup 19}F, and {sup 1}H NMR spectroscopy. At room temperature, the compound MgZrF{sub 6}.5H{sub 2}O has a monoclinic C-centered unit cell and is composed of isolated chains of edge-sharing ZrF{sub 8} dodecahedra reinforced with MgF{sub 2}(H{sub 2}O){sub 4} octahedra and uncoordinated H{sub 2}O molecules and characterized by a disordered system of hydrogen bonds. In the temperature range 259 to 255 K, a reversible monoclinic <-> two-domain triclinic phase transition is observed. The phase transition is accompanied with ordering of hydrogen atoms positions and the system of hydrogen bonds. The structure of MgZrF{sub 6}.2H{sub 2}O comprises a three-dimensional framework consisting of chains of edge-sharing ZrF{sub 8} dodecahedra linked to each other through MgF{sub 4}(H{sub 2}O){sub 2} octahedra. The compound MgZrF{sub 6} belongs to the NaSbF{sub 6} type and is built from regular ZrF{sub 6} and MgF{sub 6} octahedra linked into a three-dimensional framework through linear Zr-F-Mg bridges. The peaks in {sup 19}F MAS spectra were attributed to the fluorine structural positions. The motions of structural water molecules were studied by variable-temperature {sup 1}H NMR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Magnetism of CuCl{sub 22D{sub 2}O and CuCl{sub 22H{sub 2}O, and of CuBr{sub 26H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    DeFotis, G.C., E-mail: gxdefo@wm.edu [Department of Chemistry, College of William and Mary, Williamsburg, VA 23187 (United States); Hampton, A.S.; Van Dongen, M.J.; Komatsu, C.H.; Benday, N.S.; Davis, C.M. [Department of Chemistry, College of William and Mary, Williamsburg, VA 23187 (United States); Hays, K.; Wagner, M.J. [Department of Chemistry, George Washington University, Washington, D.C. 20052 (United States)

    2017-07-15

    Highlights: • CuCl{sub 22D{sub 2}O is examined magnetically and compared with CuCl{sub 22H{sub 2}O. • Slightly lower magnetic characteristic temperatures occur for deuterated dihydrate. • The new compound CuBr{sub 26H{sub 2}O is examined magnetically. • Unexpected relationships appears between magnetic behaviors of CuBr{sub 26H{sub 2}O and CuBr{sub 2}. • Two alternative monoclinic unit cells can account for diffraction data on CuBr{sub 26H{sub 2}O. - Abstract: The magnetic properties of little examined CuCl{sub 22D{sub 2}O are studied and compared with those of CuCl{sub 22H{sub 2}O. New CuBr{sub 26H{sub 2}O is also examined. Susceptibility maxima appear for chlorides at 5.35 and 5.50 K, in the above order, with estimated antiferromagnetic ordering at 4.15 and 4.25 K. Curie-Weiss fits yield g of 2.210 and 2.205, and Weiss θ of −6.0 and −4.7 K, respectively, in χ{sub M} = C/(T − θ). One-dimensional Heisenberg model fits to susceptibilities, including interchain exchange in a mean-field approximation, are performed. Interchain exchange is significant but much weaker than intrachain. The bromide hexahydrate strongly differs magnetically from any chloride hydrate, but exhibits notable similarities and differences compared to previously studied CuBr{sub 2}. A broad susceptibility maximum occurs near 218 K, only 4% lower than for CuBr{sub 2}, but with almost twice the magnitude. Powder X-ray diffraction data for CuBr{sub 26H{sub 2}O may be best accounted for by a monoclinic unit cell that is metrically orthorhombic. The volume per formula unit is consistent with trends in metal ionic radii. However, an alternative monoclinic cell with 5% smaller volume more readily rationalizes the magnetism.

  12. Hydrothermal synthesis and structure of nickel(II) metavanadate monohydrate, NiV2O6.H2O

    International Nuclear Information System (INIS)

    Marcos, M.D.; Amoros, P.; Beltran-Porter, A.; Ramirez de Arellano, M.C.

    1995-01-01

    The structure of NiV 2 O 6 .H 2 O consists of infinite chains of [VO 4 ] tetrahedra running along the [100] direction connected by isolated [Ni 2 O 8 (H 2 O) 2 ] dimeric entities to build up a three-dimensional network. A valence-bond analysis allows the identification of the O atoms of the water molecules. (orig.)

  13. Poly[(6-carboxypicolinato-κ3O2,N,O6(μ3-pyridine-2,6-dicarboxylato-κ5O2,N,O6:O2′:O6′dysprosium(III

    Directory of Open Access Journals (Sweden)

    Xu Li

    2009-11-01

    Full Text Available In the title complex, [Dy(C7H3NO4(C7H4NO4]n, one of the ligands is fully deprotonated while the second has lost only one H atom. Each DyIII ion is coordinated by six O atoms and two N atoms from two pyridine-2,6-dicarboxylate and two 6-carboxypicolinate ligands, displaying a bicapped trigonal-prismatic geometry. The average Dy—O bond distance is 2.40 Å, some 0.1Å longer than the corresponding Ho—O distance in the isotypic holmium complex. Adjacent DyIII ions are linked by the pyridine-2,6-dicarboxylate ligands, forming a layer in (100. These layers are further connected by π–π stacking interactions between neighboring pyridyl rings [centroid–centroid distance = 3.827 (3 Å] and C—H...O hydrogen-bonding interactions, assembling a three-dimensional supramolecular network. Within each layer, there are other π–π stacking interactions between neighboring pyridyl rings [centroid–centroid distance = 3.501 (2 Å] and O—H...O and C—H...O hydrogen-bonding interactions, which further stabilize the structure.

  14. Intrinsic peroxidase-like catalytic activity of nitrogen-doped graphene quantum dots and their application in the colorimetric detection of H2O2 and glucose

    International Nuclear Information System (INIS)

    Lin, Liping; Song, Xinhong; Chen, Yiying; Rong, Mingcong; Zhao, Tingting; Wang, Yiru; Jiang, Yaqi; Chen, Xi

    2015-01-01

    Highlights: • The highly intrinsic peroxidase-like catalytic activity of N-GQDs is revealed. • The activity of N-GQDs depended on pH, temperature and H 2 O 2 concentration. • The activity of N-GQDs has been used to the detection of H 2 O 2 and glucose. • This assay was suitable for the detection of glucose concentrations in real samples. - Abstract: In this paper, the highly intrinsic peroxidase-like catalytic activity of nitrogen-doped graphene quantum dots (N-GQDs) is revealed. This activity was greatly dependent on pH, temperature and H 2 O 2 concentration. The experimental results showed that the stable N-GQDs could be used for the detection of H 2 O 2 and glucose over a wide range of pH and temperature, offering a simple, highly selective and sensitive approach for their colorimetric sensing. The linearity between the analyte concentration and absorption ranged from 20 to 1170 μM for H 2 O 2 and 25 to 375 μM for glucose with a detection limit of 5.3 μM for H 2 O 2 and 16 μM for glucose. This assay was also successfully applied to the detection of glucose concentrations in diluted serum and fruit juice samples

  15. Solid-liquid stable phase equilibria of the ternary systems MgCl2 + MgB6O10+ H2O AND MgSO4 + MgB6O10 + H2O at 308.15 K

    Directory of Open Access Journals (Sweden)

    Lingzong Meng

    2014-03-01

    Full Text Available The solubilities and the relevant physicochemical properties of the ternary systems MgCl2 + MgB6O10 + H2O and MgSO4 + MgB6O10 + H2O at 308.15 K were investigated using an isothermal dissolution method. It was found that there is one invariant point, two univariant curves, and two crystallization regions of the systems. The systems belong to a simple co-saturated type, and neither double salts nor solid solutions were found. Based on the extended HW model and its temperature-dependent equations, the single-salt Pitzer parameters β(0, β(1, β(2 and CØ for MgCl2, MgSO4, and Mg(B6O7(OH6, the mixed ion-interaction parameters θCl,B6O10, θSO4,B6O10, ΨMg,Cl,B6O10, ΨMg,SO4,B6O10 of the systems at 308.15 K were fitted, In addition, the average equilibrium constants of the stable equilibrium solids at 308.15 K were obtained by a method using the activity product constant. Then the solubilities of the ternary systems are calculated. The calculated solubilities agree well with the experimental values.

  16. CaSeO4-0.625H2O - Water Channel Occupation in a bassanite Related Structure

    Energy Technology Data Exchange (ETDEWEB)

    S Fritz; H Schmidt; I Paschke; O Magdysyuk; R Dinnebier; D Freyer; W Voigt

    2011-12-31

    Calcium selenate subhydrate, CaSeO{sub 4} {center_dot} 0.625H{sub 2}O, was prepared by hydrothermal conversion of CaSeO{sub 4} {center_dot} 2H{sub 2}O at 463 K. From the single crystals obtained in the shape of hexagonal needles, 50-300 {micro}m in length, the crystal structure could be solved in a trigonal unit cell with space group P3{sub 2}21. The cell was confirmed and refined by high-resolution synchrotron powder diffraction. The subhydrate was characterized by thermal analysis and Raman spectroscopy.

  17. [KDy(Hptc3(H3ptc]n·2n(Hbipy·5n(H2O, a Layered Coordination Polymer Containing DyO6N3 Tri-Capped Trigonal Prisms (H3ptc = Pyridine 2,4,6-Tricarboxylic Acid, C8H5NO6; Bipy = 2,2'-Bipyridine, C10H8N2

    Directory of Open Access Journals (Sweden)

    Shoaib Anwar

    2012-08-01

    Full Text Available The synthesis, structure and properties of the bimetallic layered coordination polymer, [KDy(C8H3NO63(C8H5NO6]n·2n(C10H9N2·5n(H2O = [KDy(Hptc3(H3ptc]n·2n(Hbipy·5n(H2O, are described. The Dy3+ ion is coordinated by three O,N,O-tridentate doubly-deprotonated pyridine tri-carboxylate (Hptc ligands to generate a fairly regular DyO6N3 tri-capped trigonal prism, with the N atoms acting as the caps. The potassium ion is coordinated by an O,N,O-tridentate H3ptc molecule as well as monodentate and bidentate Hptc ligands to result in an irregular KNO9 coordination geometry. The ligands bridge the metal-atom nodes into a bimetallic, layered, coordination polymer, which extends as corrugated layers in the (010 plane, with the mono-protonated bipyridine cations and water molecules occupying the inter-layer regions: Unlike related structures, there are no dysprosium–water bonds. Many O–HLO and N–HLO hydrogen bonds consolidate the structure. Characterization and bioactivity data are described. Crystal data: C52H42DyKN8O29, Mr = 1444.54, triclinic,  (No. 2, Z = 2, a = 9.188(2 Å, b = 15.7332(17 Å, c = 19.1664(19 Å, α = 92.797(6°, β = 92.319(7°, γ = 91.273(9°, V = 2764.3(7 Å3, R(F = 0.029, wR(F2 = 0.084.

  18. Reticular V2O5·0.6H2O Xerogel as Cathode for Rechargeable Potassium Ion Batteries.

    Science.gov (United States)

    Tian, Bingbing; Tang, Wei; Su, Chenliang; Li, Ying

    2018-01-10

    Potassium ion batteries (KIBs), because of their low price, may exhibit advantages over lithium ion batteries as potential candidates for large-scale energy storage systems. However, owing to the large ionic radii of K-ions, it is challenging to find a suitable intercalation host for KIBs and thus the rechargeable KIB electrode materials are still largely unexplored. In this work, a reticular V 2 O 5 ·0.6H 2 O xerogel was synthesized via a hydrothermal process as a cathode material for rechargeable KIBs. Compared with the orthorhombic crystalline V 2 O 5 , the hydrated vanadium pentoxide (V 2 O 5 ·0.6H 2 O) exhibits the ability of accommodating larger alkali metal ions of K + because of the enlarged layer space by hosting structural H 2 O molecules in the interlayer. By intercalation of H 2 O into the V 2 O 5 layers, its potassium electrochemical activity is significantly improved. It exhibits an initial discharge capacity of ∼224.4 mA h g -1 and a discharge capacity of ∼103.5 mA h g -1 even after 500 discharge/charge cycles at a current density of 50 mA g -1 , which is much higher than that of the V 2 O 5 electrode without structural water. Meanwhile, X-ray diffraction and X-ray photoelectron spectroscopy combined with energy dispersive spectroscopy techniques are carried out to investigate the potassiation/depotassiation process of the V 2 O 5 ·0.6H 2 O electrodes, which confirmed the potassium intercalation storage mechanisms of this hydrated material. The results demonstrate that the interlayer-spacing-enlarged V 2 O 5 ·0.6H 2 O is a promising cathode candidate for KIBs.

  19. Capped CuInS2 quantum dots for H2 evolution from water under visible light illumination

    International Nuclear Information System (INIS)

    Li, Tzung-Luen; Cai, Cheng-Da; Yeh, Te-Fu; Teng, Hsisheng

    2013-01-01

    Highlights: ► Dispersed CuInS 2 quantum dots showed remarkable photosynthetic activity using visible light. ► Photogenerated electrons in CuInS 2 were effective in H 2 production from aqueous solution. ► The bifunctional capping reagent effectively transported photogenerated electrons for reaction. ► Ru-loaded CuInS 2 quantum dots showed a quantum efficiency of 4.7% in H 2 evolution. ► Attaching CuInS 2 to TiO 2 with CdS passivation achieved a quantum efficiency of 41%. - Abstract: This study demonstrates H 2 evolution from water decomposition catalyzed by capped CuInS 2 quantum dots (QDs) that are highly dispersed in a polysulfide aqueous solution. The CuInS 2 QDs, which are obtained from solvothermal synthesis, have a size of 4.3 nm and a band gap of 1.97 eV. For photosynthetic H 2 evolution in the aqueous solution, the QDs are capped with a multidentate ligand (3-mercaptopropionic acid), which has a thiol end for attaching the QDs and a hydrophilic carboxylic end for dispersion in water. The capped QDs exhibit low activity in catalyzing H 2 evolution under visible illumination. After photodepositing 0.5 wt.% Ru, the capped QDs are active in producing H 2 with illumination. This demonstrates that the photogenerated electrons travel through the capping reagent to generate deposited Ru, which subsequently serves as an electron trap for H 2 evolution. A heterostructure formed by attaching the capped QDs on TiO 2 nanoparticles, followed by coating CdS with photodeposition, exhibits a high quantum efficiency of 41% for H 2 evolution from the polysulfide solution. These results demonstrate the potential for photosynthesis and phototherapy in biologic in vivo or microfluidic systems based on this capped QD material.

  20. Hydrothermal synthesis and crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Chen; Mei, Dajiang; Sun, Chuanling; Liu, Yunsheng; Wu, Yuandong [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science (China)

    2017-09-04

    The selenites, Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}, were synthesized under hydrothermal conditions. The crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} were determined by single-crystal X-ray diffractions. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O crystallizes in the triclinic space group P1 (no. 2) with unit cell parameters a = 4.8493(9), b = 12.013(2), c = 12.077(2) Aa, and Z = 2, whereas Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} crystallizes in the monoclinic space group C2/m (no. 12) with lattice cell parameters a = 12.596(6), b = 7.297(4), c = 16.914(8) Aa, and Z = 2. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O features a three-dimensional open framework structure formed by BeO{sub 4} tetrahedra and SeO{sub 3} trigonal pyramids. Na cations and H{sub 2}O molecules are located in different tunnels. Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} has a structure composed of isolated [Mg(H{sub 2}O){sub 6}] octahedra and SeO{sub 3} trigonal pyramids interacted by hydrogen bonds, and Cs cations are resided in-between. Both compounds were characterized by thermogravimetric analysis and FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. Two new barium-copper-ethylene glycol complexes: Synthesis and structure of BaCu(C2H6O2)n(C2H4O2)2 (N = 3, 6)

    International Nuclear Information System (INIS)

    Love, C.P.; Page, C.J.; Torardi, C.C.

    1992-01-01

    Two crystalline barium-copper-ethylene glycol complexes have been isolated and structurally characterized by single-crystal x-ray diffraction. The solution-phase complex has also been investigated as a molecular precursor for use in sol-gel synthesis of high-temperature superconductors. The first crystalline form has the formula BaCu(C 2 H 6 O 2 ) 6 (C 2 H 4 O 2 ) 2 (1) and has been isolated directly from ethylene glycol solutions of the barium-copper salt. In this molecule, copper is coordinated to the four xygens of two ethylene glycolate ligands in a nearly square planar geometry. Barium is coordinated by three bidentate ethylene glycol molecules and three monodentate ethylene glycol molecules; the 9-fold coordination resembles a trigonal prism with each rectangular face capped. Copper and barium moieties do not share any ethylene glycol or glycolate oxygens; they are found by hydrogen bonding to form linear chains. The second crystal type has formula BaCu(C 2 H 6 O 2 ) 3 (C 2 H 4 O 2 ) 2 (2). It was prepared via crystallization of the mixed-metal alkoxide from an ethylene glycol/methyl ethyl ketone solution. As for 1, the copper is coordinated to four oxygen atoms of two ethylene glycolate ligands in a nearly square planar arrangement. Barium is 8-coordinate in a distorted cubic geometry. It is coordinated to three bidentate ethylene glycol molecules and shares two of the oxygen atoms bound to the copper (one from each coordinated ethylene glycol) to form a discrete molecular barium-copper complex

  2. Isolation and structures of sulfonium salts derived from thioethers: [{o-C(6)H(4)(CH(2)SMe)(2)}H][NbF(6)] and [{[9]aneS(3)}H][NbF(6)].

    Science.gov (United States)

    Jura, Marek; Levason, William; Reid, Gillian; Webster, Michael

    2009-10-07

    Two very unusual sulfonium salts, [{o-C(6)H(4)(CH(2)SMe)(2)}H][NbF(6)] and [{[9]aneS(3)}H][NbF(6)], obtained from reaction of the thioethers with NbF(5) in CH(2)Cl(2) solution, are reported and their structures described; the eight-coordinate tetrafluoro Nb(v) cation of the dithioether is obtained from the same reaction.

  3. Microstructures and Dehydrogenation Properties of Ball-milled MgH2-K2Ti6O13-Ni Composite Systems

    Directory of Open Access Journals (Sweden)

    ZHANG Jian

    2016-11-01

    Full Text Available The K2Ti6O13 whisker separate-doped and K2Ti6O13 whisker and Ni powder multi-doped MgH2 hydrogen storage composite systems were prepared by mechanical milling method. The microstructures and dehydrogenation properties of the prepared samples were characterized by some testing methods such as X-ray diffraction (XRD, scanning electron microscope (SEM and differential scanning calorimeter (DSC. The results show that the K2Ti6O13 whisker not only plays the roles in refining the MgH2 crystalline grain, but also inhibit the agglomeration of MgH2 particles in K2Ti6O13 whisker separate-doped system, which results in the decreased dehydrogenation temperature of MgH2 matrix. When the mass ratio of K2Ti6O13 to MgH2 is 3:7, the improvement effect on dehydrogenation properties of MgH2 is the most remarkable. As compared with pure ball-milled MgH2, the dehydrogenation temperature of MgH2 in K2Ti6O13 whisker separate-doped system is decreased by nearly 75℃. For K2Ti6O13 whisker and Ni powder multi-dopedsystem, the dehydrogenation temperature of MgH2 matrix is further decreased compared to K2Ti6O13 whisker separate-doped one due to the dual effects of refined MgH2 crystalline grain by K2Ti6O13 whisker and destabilized MgH2 lattice by Ni solution. As compared with pure ball-milled MgH2, the dehydrogenation temperature of MgH2 in K2Ti6O13 whisker and Ni powder multi-doped system is decreased by nearly 87℃.

  4. Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C(5)H(9)N(2)O(7)P(2))(2)(H(2)O)(2)] and [Ca(C(5)H(8)N(2)O(7)P(2))(H(2)O)](n).

    Science.gov (United States)

    Freire, Eleonora; Vega, Daniel R; Baggio, Ricardo

    2010-06-01

    Diaquabis[dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-kappa(2)O,O']magnesium(II), [Mg(C(5)H(9)N(2)O(7)P(2))(2)(H(2)O)(2)], consists of isolated dimeric units built up around an inversion centre and tightly interconnected by hydrogen bonding. The Mg(II) cation resides at the symmetry centre, surrounded in a rather regular octahedral geometry by two chelating zwitterionic zoledronate(1-) [or dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonate] anions and two water molecules, in a pattern already found in a few reported isologues where the anion is bound to transition metals (Co, Zn and Ni). catena-Poly[[aquacalcium(II)]-mu(3)-[hydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato]-kappa(5)O:O,O':O',O''], [Ca(C(5)H(8)N(2)O(7)P(2))(H(2)O)](n), consists instead of a Ca(II) cation in a general position, a zwitterionic zoledronate(2-) anion and a coordinated water molecule. The geometry around the Ca(II) atom, provided by six bisphosphonate O atoms and one water ligand, is that of a pentagonal bipyramid with the Ca(II) atom displaced by 0.19 A out of the equatorial plane. These Ca(II) coordination polyhedra are ;threaded' by the 2(1) axis so that successive polyhedra share edges of their pentagonal basal planes. This results in a strongly coupled rhomboidal Ca(2)-O(2) chain which runs along [010]. These chains are in turn linked by an apical O atom from a -PO(3) group in a neighbouring chain. This O-atom, shared between chains, generates strong covalently bonded planar arrays parallel to (100). Finally, these sheets are linked by hydrogen bonds into a three-dimensional structure. Owing to the extreme affinity of zoledronic acid for bone tissue, in general, and with calcium as one of the major constituents of bone, it is expected that this structure will be useful in modelling some of the biologically interesting processes in which the drug takes part.

  5. Investigation of dehydration reaction of BaCl2.2H2O and SrCl2.6H2O by thermal analysis under pressure

    International Nuclear Information System (INIS)

    Homma, Tsuneyuki; Yamada, Tetsuo

    1978-01-01

    The dehydration reactions of BaCl 2 .2H 2 O and SrCl 2 .6H 2 O were investigated by the techniques of thermal analysis, i.e. thermogravimetry (TG and DTG) and differential thermal analysis (DTA) under pressures of 1, 4, 10 and 40 atm. For BaCl 2 .2H 2 O, the DTA curves showed two peaks at 1 atm and three or four peaks at pressures above 4 atm, and the TG curves showed two steps over the range of 1 -- 10 atm and 3 steps at 40 atm. For SrCl 2 .6H 2 O, the DTA curves showed five peaks at respective pressure, and the TG curves showed three steps at 1 atm and two steps at pressures above 4 atm. As a common effect of pressure to the dehydration of these two salts, DTG peaks and some of DTA peaks shifted to higher temperatures with a increase in pressure, but a few peaks remained unshifted on DTA curves in spite of increasing pressure. The peaks which corresponded to these unshifted peaks on DTA curves were not observed on DTG curves. The unshifted peaks on DTA curves were attributed to the endothermic reaction accompanied by the dissociation of coordination water. The DTA and TG curves suggested that both salts formed the intermediate state between anhydrous and monohydrate states. (auth.)

  6. Phosphinodi(benzylsilane) PhP{(o-C6H4CH2)SiMe2H}2: a versatile "PSi2Hx" pincer-type ligand at ruthenium.

    Science.gov (United States)

    Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Cuevas-Chávez, Cynthia A; Vendier, Laure; Grellier, Mary; Sabo-Etienne, Sylviane

    2013-09-03

    The synthesis of the new phosphinodi(benzylsilane) compound PhP{(o-C6H4CH2)SiMe2H}2 (1) is achieved in a one-pot reaction from the corresponding phenylbis(o-tolylphosphine). Compound 1 acts as a pincer-type ligand capable of adopting different coordination modes at Ru through different extents of Si-H bond activation as demonstrated by a combination of X-ray diffraction analysis, density functional theory calculations, and multinuclear NMR spectroscopy. Reaction of 1 with RuH2(H2)2(PCy3)2 (2) yields quantitatively [RuH2{[η(2)-(HSiMe2)-CH2-o-C6H4]2PPh}(PCy3)] (3), a complex stabilized by two rare high order ε-agostic Si-H bonds and involved in terminal hydride/η(2)-Si-H exchange processes. A small free energy of reaction (ΔrG298 = +16.9 kJ mol(-1)) was computed for dihydrogen loss from 3 with concomitant formation of the 16-electron species [RuH{[η(2)-(HSiMe2)-CH2-o-C6H4]PPh[CH2-o-C6H4SiMe2]}(PCy3)] (4). Complex 4 features an unprecedented (29)Si NMR decoalescence process. The dehydrogenation process is fully reversible under standard conditions (1 bar, 298 K).

  7. 2,6-Diaminopyridinium bis(4-hydroxypyridine-2,6-dicarboxylato-κ3O2,N,O6ferrate(III dihydrate

    Directory of Open Access Journals (Sweden)

    Andya Nemati

    2008-10-01

    Full Text Available The reaction of iron(II sulfate heptahydrate with the proton-transfer compound (pydaH(hypydcH (pyda = pyridine-2,6-diamine; hypydcH2 = 4-hydroxypyridine-2,6-dicarboxylic acid in an aqueous solution led to the formation of the title compound, (C5H8N3[Fe(C7H3NO52]·2H2O. The anion is a six-coordinated complex with a distorted octahedral geometry around the FeIII atom. Extensive intermolecular O—H...O, N—H...O and C—H...O hydrogen bonds, involving the complex anion, (pydaH+ counter-ion and two uncoordinated water molecules, and π–π [centroid-to-centroid distance 3.323 (11 Å] and C—O...π [O–centroid distance 3.150 (15 Å] interactions connect the various components into a supramolecular structure.

  8. Et2NH2C6H3(CO23SnBr2.4H2O: SYNTHESIS AND INFRARED STUDY

    Directory of Open Access Journals (Sweden)

    DAOUDA NDOYE

    2014-01-01

    Full Text Available The title compound has been obtained on allowing [C6H3(CO23(Et2NH23] to react with SnBr4. The molecular structure of Et2NH2C6H3(CO23SnBr2.4H2O has been determined on the basis of the infrared data. The suggested structure is a dimer in which each tin atom is hexacoordinated by two chelating C6H3(CO233- anions and two Br atoms. Cy2NH2+cations are involved through hydrogen bonds with non-coordinating CO2 groups. The suggested structure is a cage.

  9. NCI calculations for understanding a physical phase transition in (C6H14N2)[Mn(H2O)6](SeO4)2

    Science.gov (United States)

    Naïli, Houcine; François, Michel; Norquist, Alexander J.; Rekik, Walid

    2017-12-01

    An organically templated manganese selenate, (C6H14N2)[Mn(H2O)6](SeO4)2, has been synthesized by slow evaporation and crystallographically characterized. The title compound crystallizes at room temperature in the monoclinic centrosymmetric space group P21/n, with the following unit cell parameters: a = 7.2373(4) Å; b = 12.5600(7) Å; c = 10.1945(7) Å; β = 91.155(4)°, V = 926.50(10) Å3and Z = 2. Its crystal structure is built of manganese(II) cations coordinated by six water molecules in octahedral geometry, disordered dabcodiium cations and selenate anions, resulting in an extensive hydrogen-bonding network. Differential scanning calorimetry (DSC) measurement indicated that the precursor undergoes a reversible phase transition at about 216 and 218 K during the cooling and heating processes respectively. Below this temperature the title compound is noncentrosymmetric with space group P21 and lattice parameters a = 7.2033(8) Å; b = 12.4981(13) Å; c = 10.0888(11) Å; β = 91.281(2)°, V = 908.04(17) Å3 and Z = 2. The disorder-order transformation of the C atoms of (C6H14N2)2+ cation may drive the structural phase transition. The low temperature phase obtained by breaking symmetry presents a fully ordered structure. The noncovalent interaction (NCI) method was used not only to locate, quantify, and visualize intermolecular interactions in the high and low temperature phases but also to confirm the phase transition detected by DSC measurement. The thermal decomposition of this new compound proceeds through four stages giving rise to the manganese oxide as final product at 850 °C.

  10. Exploring Graphene Quantum Dots/TiO2 interface in photoelectrochemical reactions: Solar to fuel conversion

    International Nuclear Information System (INIS)

    Sudhagar, Pitchaimuthu; Herraiz-Cardona, Isaac; Park, Hun; Song, Taesup; Noh, Seung Hyun; Gimenez, Sixto; Sero, Ivan Mora; Fabregat-Santiago, Francisco; Bisquert, Juan; Terashima, Chiaki; Paik, Ungyu; Kang, Yong Soo

    2016-01-01

    Highlights: • Low dimension ∼5 nm graphene quantum dots nanoparticles were synthesized using chemical exfoliation method. • One dimensional TiO 2 hallow nanowire is grown directly onto conducting substrates using ZnO nanowire as sacrificial template. • The merits of optical properties of the graphene quantum dots sensitizer with the transport properties of the host 1-D TiO 2 nanowire were combined and demonstrate as photoanode in photoelectrochemical hydrogen generation. • A photocurrent enhancement of ∼70% at pristine TiO 2 by graphene quantum dots was achieved through photoelectrocatalytic water oxidation using sacrificial-free electrolyte. • The underlying mechanism of photocharge carrier transfer characteristics at graphene quantum dots/TiO 2 interface is studied using electrochemical impedance spectroscopy. - Abstract: Photocarrier (e − /h + ) generation at low dimension graphene quantum dots offers multifunctional applications including bioimaging, optoelectronics and energy conversion devices. In this context, graphene quantum dots onto metal oxide electron transport layer finds great deal of attention in solar light driven photoelectrochemical (PEC) hydrogen fuel generation. The merits of combining tailored optical properties of the graphene quantum dots sensitizer with the transport properties of the host wide band gap one dimensional nanostructured semiconductor provide a platform for high charge collection which promotes catalytic proton reduction into fuel generation at PEC cells. However, understanding the underlying mechanism of photocarrier transfer characteristics at graphene quantum dots/metal oxide interface during operation is often difficult as graphene quantum dots may have a dual role as sensitizer and catalyst. Therefore, exploring photocarrier generation and injection at graphene quantum dot/metal oxide heterointerfaces in contact with hole scavenging electrolyte afford a new pathway in developing graphene quantum dots based

  11. A Cadmium Anionic 1-D Coordination Polymer {[Cd(H2O6][Cd2(atr22-btc2(H2O4] 2H2O}n within a 3-D Supramolecular Charge-Assisted Hydrogen-Bonded and π-Stacking Network

    Directory of Open Access Journals (Sweden)

    Anas Tahli

    2016-03-01

    Full Text Available The hydrothermal reaction of 4,4′-bis(1,2,4-triazol-4-yl (btr and benzene-1,3,5-tricarboxylic acid (H3btc with Cd(OAc2·2H2O at 125 °C in situ forms 4-amino-1,2,4-triazole (atr from btr, which crystallizes to a mixed-ligand, poly-anionic chain of [Cd2(atr22-btc2(H2O4]2–. Together with a hexaaquacadmium(II cation and water molecules the anionic coordination-polymeric forms a 3-D supramolecular network of hexaaquacadmium(II-catena-[bis(4-amino-1,2,4-triazoletetraaquabis(benzene-1,3,5-tricarboxylatodicadmate(II] dihydrate, 1-D-{[Cd(H2O6][Cd2(atr22-btc2(H2O4] 2H2O}n which is based on hydrogen bonds (in part charge-assisted and π–π interactions.

  12. V-dotO2max prediction from multi-frequency bioelectrical impedance analysis

    International Nuclear Information System (INIS)

    Stahn, Alexander; Strobel, Günther; Terblanche, Elmarie

    2008-01-01

    Bioelectrical impedance analysis (BIA) has been shown to be highly related to skeletal muscle mass and blood volume, both of which are important determinants of maximal oxygen uptake (V-dotO 2max ). The aim of the present study was therefore to investigate the ability of whole-body and segmental multi-frequency BIA to improve current nonexercise V-dotO 2max prediction models. Data for V-dotO 2max (mL min −1 ), anthropometry, self-reported physical activity (PA-R) and BIA were collected in 115 men and women. Multiple linear regression analysis (MLR) was used to develop the most parsimonious prediction model. Segmental BIA was not superior to whole-body measurements. Correlation coefficients between V-dotO 2max and resistance indices were significantly higher at 500 kHz compared to 50 kHz (p 2max (r = 0.89). After adjusting for age, gender and PA-R, MLR revealed that the inclusion of intracellular resistance index was slightly, but significantly (p 2max ( −1 ). In short, whole-body BIA marginally improves the accuracy of nonexercise V-dotO 2max prediction models and its advantage is most pronounced in individuals with particularly low V-dotO 2max

  13. Activation of sp3-CH Bonds in a Mono(pentamethylcyclopentadienyl)yttrium Complex. X-ray Crystal Structures and Dynamic Behavior of Cp*Y(o-C6H4CH2NMe2)2 and Cp*Y[o-C6H4CH2NMe(CH2-μ)][μ-o-C6H4CH2NMe(CH2-μ)]YCp*[THF

    NARCIS (Netherlands)

    Booij, Martin; Kiers, Niklaas H.; Meetsma, Auke; Teuben, Jan H.; Smeets, Wilberth J.J.; Spek, Anthony L.

    1989-01-01

    Reaction of Y(o-C6H4CH2NMe2)3 (1) with Cp*H gives Cp*Y(o-C6H4CH2NMe2)2 (2), which crystallizes in the monoclinic space group P21/n (No. 14) with a = 18.607 (4) Å, b = 15.633 (3) Å, c = 8.861 (3) Å, β = 102.73 (3)°, and Z = 4. Least-squares refinement with 3006 independent reflections (F > 4.0σ(F))

  14. Bis(3-acetyl-6-methyl-2-oxo-2H-pyran-4-olatobis(dimethyl sulfoxidenickel(II

    Directory of Open Access Journals (Sweden)

    Amel Djedouani

    2009-10-01

    Full Text Available In the title compound, [Ni(C8H7O42{(CH32SO}2], the NiII atom is located on a crystallographic centre of symmetry and has a distorted octahedral coordination geometry of type MO6. The bidentate dehydroacetic acid (DHA ligands occupy the equatorial plane of the complex in a trans configuration, and the dimethyl sulfoxide (DMSO ligands are weakly coordinated through their O atoms in the axial positions.

  15. Stabilization and reactivity of a terminal phosphidounit on Pt(II). Synthesis and X-ray structure of cationic diphelylphosphine [Pt{C6H3(CH2NMe2)2-2,6}(PHPh2)][CF3SO3] and Diphenyl-phosphido Bridged Pt(II)-Pd(II) Complex [Pt{C6H3(CH2NMe2)2-2,6} (µ-PPh2) Pd(C6H4CH2NMe2-2)(H2O)][BF4] CH2Cl2

    NARCIS (Netherlands)

    Koten, G. van; Maassarani, F.; Davidson, M.F.; Wehman-Ooyevaar, ICM; Grove, D.M.; Koten, M.A. van; Smeets, W.J.J.; Spek, A.L.

    1995-01-01

    Reaction of diphenylphosphine with the complexes [Pt(NCN)(H{2}O)]X (NCN = C{6}H{3}(CH{2}NMe{2}){2}-2, 6; X = BF{4} (1a), OSO{2}CF{3} (1b)) leads to substitution of the H{2}O ligand to afford the ionic Pt(II) complexes [Pt(NCN)(PHPh{2})]X (X = BF{4} (2a), OSO{2}CF{3} (2b)). The X-ray structure of the

  16. Diffusion Monte Carlo studies of MB-pol (H{sub 2}O){sub 26} and (D{sub 2}O){sub 26} clusters: Structures and binding energies

    Energy Technology Data Exchange (ETDEWEB)

    Mallory, Joel D.; Mandelshtam, Vladimir A. [Department of Chemistry, University of California, Irvine, California 92697 (United States)

    2016-08-14

    We employ the diffusion Monte Carlo (DMC) method in conjunction with the recently developed, ab initio-based MB-pol potential energy surface to characterize the ground states of small (H{sub 2}O){sub 26} clusters and their deuterated isotopomers. Observables, other than the ground state energies, are computed using the descendant weighting approach. Among those are various spatial correlation functions and relative isomer fractions. Interestingly, the ground states of all clusters considered in this study, except for the dimer, are delocalized over at least two conformations that differ by the orientation of one or more water monomers with the relative isomer populations being sensitive to the isotope substitution. Most remarkably, the ground state of the (H{sub 2}O){sub 6} hexamer is represented by four distinct cage structures, while that of (D{sub 2}O){sub 6} is dominated by the prism, i.e., the global minimum geometry, with a very small contribution from a prism-book geometry. In addition, for (H{sub 2}O){sub 6} and (D{sub 2}O){sub 6}, we performed DMC calculations to compute the ground states constrained to the cage and prism geometries. These calculations compared results for three different potentials, MB-pol, TTM3/F, and q-TIP4P/F.

  17. A calorimetric and equilibrium investigation of the reaction {l_brace}methyl ferulate(aq) + H{sub 2}O(l) = methanol(aq) + ferulic acid(aq){r_brace}

    Energy Technology Data Exchange (ETDEWEB)

    Goldberg, Robert N., E-mail: robert.goldberg@nist.go [Biochemical Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20876 (United States); Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, Baltimore, MD 21250 (United States); Lang, Brian E., E-mail: brian.lang@nist.go [Biochemical Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20876 (United States); Selig, Michael J., E-mail: michael.selig@nrel.go [National Renewable Energy Laboratory, Biosciences Center, 1617 Cole Boulevard, Golden, CO 80401 (United States); Decker, Stephen R., E-mail: steve.decker@nrel.go [National Renewable Energy Laboratory, Biosciences Center, 1617 Cole Boulevard, Golden, CO 80401 (United States)

    2011-03-15

    Microcalorimetry and high-performance liquid chromatography (HPLC) have been used to conduct a thermodynamic investigation of the reaction: {l_brace}methyl ferulate(aq) + H{sub 2}O(l) = methanol(aq) + ferulic acid(aq){r_brace}, as catalyzed by feruloyl esterase. Values of the apparent equilibrium constant K' = (29.6 {+-} 0.7) (T = 298.15 K, citrate buffer at pH 4.98, ionic strength I = 0.39 mol {center_dot} kg{sup -1}) and of the calorimetrically determined enthalpy of reaction {Delta}{sub r}H(cal) = (4.0 {+-} 0.9) kJ {center_dot} mol{sup -1} (T = 298.15 K and citrate buffer at pH 4.81, I = 0.36 mol {center_dot} kg{sup -1}) were measured. A chemical equilibrium model, together with pKs and standard enthalpies of reaction {Delta}{sub r}H{sup 0} for the H{sup +}(aq) binding reactions of the reactants and products, was then used to calculate the values K = (1.89 {+-} 0.06) . 10{sup -4}, {Delta}{sub r}H{sup o} = (7.3 {+-} 1.7) kJ {center_dot} mol{sup -1}, {Delta}{sub r}G{sup o} = (21.25 {+-} 0.07) kJ {center_dot} mol{sup -1}, and {Delta}{sub r}S{sup o} = - (46.8 {+-} 5.7) J {center_dot} K{sup -1} {center_dot} mol{sup -1} for the chemical reference reaction {l_brace}methyl ferulate(aq) + H{sub 2}O(l) = methanol(aq) + ferulic acid{sup -}(aq) + H{sup +}(aq){r_brace}. These values of K and {Delta}{sub r}H{sup o} are similar in magnitude to the corresponding values reported for the reaction {l_brace}propyl gallate(aq) + H{sub 2}O(l) = 3,4,5-trihydroxybenzoic acid{sup -}(aq) + 1-propanol(aq) + H{sup +}(aq){r_brace}. The results obtained in this study can be used in a chemical equilibrium model to calculate how K' and other standard transformed properties such as the standard transformed enthalpy {Delta}{sub r}H'{sup o}, standard transformed Gibbs free energy {Delta}{sub r}G'{sup o}, and the change in binding of H{sup +}(aq), {Delta}{sub r}N(H{sup +}), vary with the independent variables T, pH, and I.

  18. Ultra-large scale synthesis of high electrochemical performance SnO{sub 2} quantum dots within 5 min at room temperature following a growth self-termination mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Hongtao, E-mail: htcui@ytu.edu.cn; Xue, Junying; Ren, Wanzhong; Wang, Minmin

    2015-10-05

    Highlights: • SnO{sub 2} quantum dots were prepared at an ultra-large scale at room temperature within 5 min. • The grinding of SnCl{sub 2}⋅2H{sub 2}O and ammonium persulphate with morpholine produces quantum dots. • The reactions were self-terminated through the rapid consumption of water. • The obtained SnO{sub 2} quantum dots own high electrochemical performance. - Abstract: SnO{sub 2} quantum dots are prepared at an ultra-large scale by a productive synthetic procedure without using any organic ligand. The grinding of solid mixture of SnCl{sub 2}⋅2H{sub 2}O and ammonium persulphate with morpholine in a mortar at room temperature produces 1.2 nm SnO{sub 2} quantum dots within 5 min. The formation of SnO{sub 2} is initiated by the reaction between tin ions and hydroxyl groups generated from hydrolysis of morpholine in the released hydrate water from SnCl{sub 2}⋅2H{sub 2}O. It is considered that as water is rapidly consumed by the hydrolysis reaction of morpholine, the growth process of particles is self-terminated immediately after their transitory period of nucleation and growth. As a result of simple procedure and high toleration to scaling up of preparation, at least 50 g of SnO{sub 2} quantum dots can be produced in one batch in our laboratory. The as prepared quantum dots present high electrochemical performance due to the effective faradaic reaction and the alternative trapping of electrons and holes.

  19. Electron capture in collisions between O6+ ions and H2O molecules

    NARCIS (Netherlands)

    Bodewits, D.; Hoekstra, R.

    By means of photon emission spectroscopy, state selective electron capture cross section for low energy (0.1-7.5 keV/amu) collisions of O6+ on H2O molecules have been measured. Over the range of interaction energies the state selective cross sections change strongly, i.e., by factors up to 5, while

  20. Diaqua-2κ2O-bis(μ-1-oxido-2-naphthoato-1:2κ3O1,O2:O2′;2:3κ3O2:O1,O2′-bis(1-oxido-2-naphthoato-1κ1O2,O2;3κ2O1,O2-hexapyridine-1κ2N,2κ2N,3κ2N-trimanganese(II/III pyridine disolvate dihydrate

    Directory of Open Access Journals (Sweden)

    Daqi Wang

    2008-12-01

    Full Text Available The title complex, [Mn3(C11H6O34(C5H5N6(H2O22H22C5H5N, is a trinuclear mixed oxidation state complex of overline1 symmetry. The three Mn atoms are six-coordinated in the shape of distorted octahedra, each coordinated with an O4N2 set of donor atoms, where the ligands exhibit mono- and bidentate modes. However, the coordination of the MnII ion located on the inversion centre involves water molecules at two coordination sites, whereas that of the two symmetry-related MnIII ions involves an O4N2 set of donor atoms orginating from the organic ligands. Intramolecular C—H...π interactions between neighbouring pyridine ligands stabilize this arrangement. A two-dimensional network parallel to (001 is formed by intermolecular O—H...O hydrogen bonds.

  1. Features of the structure of phospho- and arsenouranic acids of the composition of HPUO2x4H2O and HAsUO6x4H2O

    International Nuclear Information System (INIS)

    Chernorukov, N.G.; Karyakin, N.V.; Chernorukov, G.N.

    1994-01-01

    The structure of crystal phases of the composition HPUO 6 x4H 2 O and HAsUO 6 x4H 2 O has been studied using the methods of IR spectroscopy, thermography, X-ray phase analysis and calorimetry. The nature and binding energy of water within the compounds mentioned are determined. 10 refs., 2 figs

  2. Crystal structure of Sm(NO3)3x6H2O

    International Nuclear Information System (INIS)

    Espenbetov, A.A.; Gerr, R.G.; Struchkov, Yu.T.; Sal'nikova, N.A.; Akimov, V.M.; Odinets, Z.K.

    1985-01-01

    X-ray diffraction study of a salt, prepared when mixing concentrated nitric acid solutions of NaNO 3 and Sm(NO 3 ) 3 , has been carried out. It is established, that the salt is a concretion of two crystals: NaNO 3 and Sm(NO 3 ) 3 x6H 2 O (1). X-ray diffraction study of 1 is carried out (lambda Mo, diffractometer, 1511 reflections, the method of heavy atom, the least square method in anisotropic approximation up to R=0.0348). The crystals of 1 are triclinic: a=6.755, b=9.168, c=11.684 A, α=69.93, β=88.86, γ=69.28, Z=2, Fedorov group P anti 1. Symmetery of 10-vertex coordination polyhedron (CP) of Sm atom is close to Csub(s). Sm atom coordination can be described as 4;5:1. Four H 2 O molecules are included into CP, at the expense of two remaining H 2 O molecules CP are bound with each other

  3. Coordination polymers of scandium sulfate. Crystal structures of (H2Bipy)[Sc(H2O)(SO4)2]2·2H2O and (H2Bipy)[HSO4]2

    International Nuclear Information System (INIS)

    Petrosyants, S.P.; Ilyukhin, A.B.

    2005-01-01

    Compounds with general formula Cat x [Sc(H 2 O) z (SO 4 ) y ]·nH 2 O (Cat=NH 4 , H 2 Bipy (Bipy - 4,4'-bipyridine), HEdp (Edp - ethylene dipyridine)) identified on element analysis data and IR spectra are synthesized. X-ray diffraction analysis of (H 2 Bipy)[Sc(H 2 O)(SO 4 ) 2 ] 2 ·2H 2 O shows that in structure of the compound chains of ScO 6 octahedron and SO 4 tetrahedrons are joined in bands by tridentate coordination of sulfate ions. Bands form skeleton in endless emptiness of which there are H 2 Bipy 2+ cations [ru

  4. Photodegradation and toxicity changes of antibiotics in UV and UV/H{sub 2}O{sub 2} process

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Yuan [State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 (China); Hu Chun, E-mail: huchun@rcees.ac.cn [State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 (China); Xuexiang, Hu; Dongbin, Wei; Yong, Chen; Jiuhui, Qu [State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 (China)

    2011-01-30

    The photodegradation of three antibiotics, oxytetracycline (OTC), doxycycline (DTC), and ciprofloxacin (CIP) in UV and UV/H{sub 2}O{sub 2} process was investigated with a low-pressure UV lamp system. Experiments were performed in buffered ultrapure water (UW), local surface water (SW), and treated water from local municipal drinking water treatment plant (DW) and wastewater treatment plant (WW). The efficiency of UV/H{sub 2}O{sub 2} process was affected by water quality. For all of the three selected antibiotics, the fastest degradation was observed in DW, and the slowest degradation occurred in WW. This phenomenon can be explained by R{sub OH,UV}, defined as the experimentally determined {center_dot}OH radical exposure per UV fluence. The R{sub OH,UV} values represent the background {center_dot}OH radical scavenging in water matrix, obtained by the degradation of para-chlorobenzoic acid (pCBA), a probe compound. In natural water, the indirect degradation of CIP did not significantly increase with the addition of H{sub 2}O{sub 2} due to its effective degradation by UV direct photolysis. Moreover, the formation of several photoproducts and oxidation products of antibiotics in UV/H{sub 2}O{sub 2} process was identified using GC-MS. Toxicity assessed by Vibrio fischer (V. fischer), was increased in UV photolysis, for the photoproducts still preserving the characteristic structure of the parent compounds. While in UV/H{sub 2}O{sub 2} process, toxicity increased first, and then decreased; nontoxic products were formed by the oxidation of {center_dot}OH radical. In this process, detoxification was much easier than mineralization for the tested antibiotics, and the optimal time for the degradation of pollutants in UV/H{sub 2}O{sub 2} process would be determined by parent compound degradation and toxicity changes.

  5. Jensenite, Cu3 Te (super 6+) O6 .2H2O, a new mineral species from the Centennial Eureka Mine, Tintic District, Juab County, Utah

    Science.gov (United States)

    Roberts, Andrew C.; Grice, Joel D.; Groat, Lee A.; Criddle, Alan J.; Gault, Robert A.; Erd, Richard C.; Moffatt, Elizabeth A.

    1996-01-01

    Jensenite, ideally Cu 3 Te (super 6+) O 6 .2H 2 O, is monoclinic, P2 1 /n (14), with unit-cell parameters refined from powder data: a 9.204(2), b 9.170(2), c 7.584(1) Aa, beta 102.32(3) degrees , V 625.3(3) Aa 3 , a:b:c 1.0037:1:0.8270, Z = 4. The strongest six reflections of the X-ray powder-diffraction pattern [d in Aa(I)(hkl)] are: 6.428(100)(101,110), 3.217(70)(202), 2.601(40)(202), 2.530(50)(230), 2.144(35)(331) and 1.750(35)(432). The mineral is found on the dumps of the Centennial Eureka mine, Juab County, Utah, where it occurs as isolated crystals or as groups of crystals on drusy white quartz. Associated minerals are mcalpineite, xocomecatlite and unnamed Cu(Mg,Cu,Fe,Zn) 2 Te (super 6+) O 6 .6H 2 O. Individual crystals of jensenite are subhedral to euhedral, and form simple rhombs that are nearly equant. Some crystals are slightly elongate [101], with a length-to-width ratio up to 2:1. The largest crystal is approximately 0.4 mm in size; the average size is between 0.1 and 0.2 mm. Cleavage {101} fair. Forms are: {101} major; {110} medium; {100} minor; {301}, {201}, {203}, {102}, {010} very small. The mineral is transparent, emerald green, with a less intense streak of the same color and an uneven fracture. Jensenite is adamantine, brittle and nonfluorescent; H (Mohs) 3-4; D (calc.) 4.78 for the idealized formula, 4.76 g/cm 3 for the empirical formula. In a polished section, jensenite is very weakly bireflectant and nonpleochroic. In reflected plane-polarized light in air, it is a nondescript grey, and in oil, it is a much darker grey in color with a brownish tint, with ubiquitous bright green internal reflections. Anisotropy is not detectable. Measured values of reflectance, in air and in oil, are tabulated. Electron-microprobe analyses yielded CuO 50.91, ZnO 0.31, TeO 3 38.91, H 2 O (calc.) [8.00], total [98.13] wt.%. The empirical formula, derived from crystal-structure analysis and electron-microprobe analyses, is (Cu (sub 2.92) Zn (sub 0.02) ) (sub

  6. The crystal structure of ianthinite, [U24+(UO2)4O6(OH)4(H2O)4](H2O)5: a possible phase for Pu4+ incorporation during the oxidation of spent nuclear fuel

    International Nuclear Information System (INIS)

    Burns, P.C.; Hawthorne, F.C.; Miller, M.L.; Ewing, R.C.

    1997-01-01

    Ianthinite, [U 4+ 2 (UO 2 ) 4 O 6 (OH) 4 (H 2 O) 4 ](H 2O) 5 , is the only known uranyl oxide hydrate mineral that contains U 4+ , and it has been proposed that ianthinite may be an important Pu 4+ -bearing phase during the oxidative dissolution of spent nuclear fuel. The crystal structure of ianthinite, orthorhombic, a=0.7178(2), b=1.1473(2), c=3.039(1) nm, V=2.5027 nm 3 , Z=4, space group P2 1 cn, has been solved by direct methods and refined by least-squares methods to an R index of 9.7% and a wR index of 12.6% using 888 unique observed [ vertical stroke F vertical stroke ≥5σ vertical stroke F vertical stroke ] reflections. The structure contains both U 6+ and U 4+ . The U 6+ cations are present as roughly linear (U 6+ O 2 ) 2+ uranyl ions (Ur) that are in turn coordinated by five O 2- and OH - located at the equatorial positions of pentagonal bipyramids. The U 4+ cations are coordinated by O 2- , OH - and H 2 O in a distorted octahedral arrangement. The Urφ 5 and U 4+ φ 6 (φ: O 2- , OH - , H 2 O) polyhedra link by sharing edges to form two symmetrically distinct sheets at z∼0.0 and z∼0.25 that are parallel to (001). The sheets have the β-U 3 O 8 sheet anion-topology. There are five symmetrically distinct H 2 O groups located at z∼0.125 between the sheets of Uφ n polyhedra, and the sheets of Uφ n polyhedra are linked together only by hydrogen bonding to the intersheet H 2 O groups. The crystal-chemical requirements of U 4+ and Pu 4+ are very similar, suggesting that extensive Pu 4+ U 4+ substitution may occur within the sheets of Uφ n polyhedra in the structure of ianthinite. (orig.)

  7. Organic-inorganic hybrid supramolecular assemblies based on isomers [H{sub x}As{sub 2}Mo{sub 6}O{sub 26}]{sup (6-x)-} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Zhi-Feng [College of Material Science and Engineering, Heilongjiang University of Science and Technology, Harbin (China); Su, Zhan-Hua; Cong, Bo-Wen; Zhao, Wen-Qi; Ma, Xiu-Juan [School of Chemistry and Chemical Engineering, Harbin Normal University, Harbin (China)

    2017-08-16

    The arsenomolybdates [H{sub 2}As{sub 2}Mo{sub 6}O{sub 26}(H{sub 2}O)].(H{sub 2}biyb){sub 2}.2H{sub 2}O (1) and [H{sub 3}As{sub 2}Mo{sub 6}O{sub 26}].(H{sub 3}pt){sub 2} (2) [biyb = 1,4-bis(imidazol-1-ylmethyl)benzene, pt = 4'-(3{sup ''}-pyridyl)-2,3':6'3{sup ''}-terpyridine] were synthesized via hydrothermal method. The structures of the compounds were characterized by single-crystal X-ray diffraction analyses, elemental analyses, IR spectroscopy, and TG analysis. Compounds 1 and 2 exhibit two isomeric forms of [H{sub x}As{sub 2}Mo{sub 6}O{sub 26}]{sup (6-x)-}. The structure of 1 is constructed from the B-type [H{sub 2}As{sub 2}Mo{sub 6}O{sub 26}(H{sub 2}O)]{sup 4-} polyanions and free biyb ligands via weak interactions to form 3D supramolecular framework with a {3.4.5"3.6}{3.4"3.5"2}{3.5.6}{sup 2}{3.5"2}{sup 2} topology structure. In compound 2, the A-type [H{sub 3}As{sub 2}Mo{sub 6}O{sub 26}]{sup 3-} clusters are surrounded by pt ligands through hydrogen bond interactions forming 3D supramolecular framework with a {4"3.6"3}{sup 2}{4"6.6"6.8"3} topology structure. The electrochemical behaviors, electrocatalytic and photocatalytic activities of 1 and 2 are detected. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Photolysis of H2O-H2O2 Mixtures: The Destruction of H2O2

    Science.gov (United States)

    Loeffler, M. J.; Fama, M.; Baragiola, R. A.; Carlson, R. W.

    2013-01-01

    We present laboratory results on the loss of H2O2 in solid H2O + H2O2 mixtures at temperatures between 21 and 145 K initiated by UV photolysis (193 nm). Using infrared spectroscopy and microbalance gravimetry, we measured the decrease of the 3.5 micrometer infrared absorption band during UV irradiation and obtained a photodestruction cross section that varies with temperature, being lowest at 70 K. We use our results, along with our previously measured H2O2 production rates via ionizing radiation and ion energy fluxes from the spacecraft to compare H2O2 creation and destruction at icy satellites by ions from their planetary magnetosphere and from solar UV photons. We conclude that, in many cases, H2O2 is not observed on icy satellite surfaces because the H2O2 photodestruction rate is much higher than the production rate via energetic particles, effectively keeping the H2O2 infrared signature at or below the noise level.

  9. Cluster-enhanced X-O-2 photochemistry (X=CH3I, C3H6, C6H12, and Xe)

    NARCIS (Netherlands)

    Baklanov, A.V.; Bogdanchikov, G.A.; Vidma, K.V.; Chestakov, D.A.; Parker, D.H.

    2007-01-01

    The effect of a local environment on the photodissociation of molecular oxygen is investigated in the van der Waals complex X-O-2 (X=CH3I, C3H6, C6H12, and Xe). A single laser operating at wavelengths around 226 nm is used for both photodissociation of the van der Waals complex and simultaneous

  10. Ilyukhinite (H3O,Na)14Ca6Mn2Zr3Si26O72(OH)2 • 3H2O, a New Mineral of the Eudialyte Group

    Science.gov (United States)

    Chukanov, N. V.; Rastsvetaeva, R. K.; Rozenberg, K. A.; Aksenov, S. M.; Pekov, I. V.; Belakovsky, D. I.; Kristiansen, R.; Van, K. V.

    2017-12-01

    A new eudialyte-group mineral, ilyukhinite, ideally (H3O,Na)14Ca6Mn2Zr3Si26O72(OH)2 · 3H2O, has been found in peralkaline pegmatite at Mt. Kukisvumchorr, Khibiny alkaline pluton, Kola Peninsula, Russia. It occurs as brownish orange, with vitreous luster anhedral grains up to 1 mm across in hydrothermally altered peralkaline rock, in association with aegirine, murmanite, albite, microcline, rhabdophane-(Ce), fluorite, sphalerite and molybdenite. The Mohs hardness is 5; cleavage is not observed. D meas 2.67(2), D calc 2.703 g/cm3. Ilyukhinite is optically uniaxial (-): ω = 1.585(2), ɛ = 1.584(2). The IR spectrum is given. The average chemical composition of ilyukhinite (wt %; electron microprobe, ranges given in parentheses; H2O determined by gas chromatography) is as follows: 3.07 (3.63-4.43) Na2O, 0.32 (0.28-0.52) K2O, 10.63 (10.26-10.90) CaO, 3.06 (2.74-3.22) MnO, 1.15 (0.93-1.37) FeO, 0.79 (0.51-0.89) La2O3, 1.21 (0.97-1.44) Ce2O3, 0.41 (0.30-0.56) Nd2O3, 0.90 (0.77-1.12) TiO2, 10.94 (10.15-11.21) ZrO2, 1.40 (0.76-1.68) Nb2O5, 51.24 (49.98-52.28) SiO2, 1.14 (0.89-1.37) SO3, 0.27 (0.19—0.38) Cl, 10.9(5 )H2O,-0.06-O = C1, total is 98.27. The empirical formula is H36.04(Na3.82K0.20)(Ca5.65Ce0.22La0.14Nd0.07)(Mn1.285Fe0.48)(Zr2.645Ti0.34)Nb0.31Si25.41S0.42Cl0.23O86.82. The crystal structure has been solved ( R = 0.046). Ilyukhinite is trigonal, R3 m; a = 14.1695(6) Å, b = 31.026(1) Å, V = 5394.7(7) Å3, Z = 3. The strongest XRD reflections [ d, Å (I, %) ( hkl)] are 11.44 (82) (101), 7.09 (70) (110), 6.02 (44) (021), 4.371 (89) 205), 3.805 (47) (303, 033), 3.376 (41) (131), 2.985 (100) (315, 128), 2.852 (92) (404). Ilyukhinite was named in memory of Vladimir V. Ilyukhin (1934-1982), an outstanding Soviet crystallographer. The type specimen of ilyukhinite has been deposited in the collection of the Natural History Museum, University of Oslo, Norway.

  11. A neodymium(III)-ammonium complex involving oxalate and carbonate ligands: (NH4)2[Nd2(C2O4)3(CO3)(H2O)].H2O.

    Science.gov (United States)

    Trombe, Jean-Christian; Galy, Jean; Enjalbert, Renée

    2002-10-01

    The title compound, diammonium aqua-mu-carbonato-tri-mu-oxalato-dineodymium(III) hydrate, (NH(4))(2)[Nd(2)(CO(3))(C(2)O(4))(3)(H(2)O)].H(2)O, involving the two ligands oxalate and carbonate, has been prepared hydrothermally as single crystals. The Nd atoms form a tetranuclear unit across the inversion centre at (1/2, 1/2, 1/2). Starting from this tetranuclear unit, the oxalate ligands serve to develop a three-dimensional network. The carbonate group acts as a bis-chelating ligand to two Nd atoms, and is monodentate to a third Nd atom. The oxalate groups are all bis-chelating. The two independent Nd atoms are ninefold coordinated and the coordination polyhedron of these atoms is a distorted monocapped antiprism.

  12. Fluorescence Quenching of Dendrimer-Encapsulated CdS Quantum Dots for the Detection of H{sub 2}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Hyojung; Kim, Hai Dong; Kim, Joohoon [Kyung Hee Un iversity, Seoul (Korea, Republic of)

    2016-02-15

    Hydrogen peroxide (H{sub 2}O{sub 2}) exists in natural environments as a byproduct of various enzymatic and photochemical reactions. Various approaches have been reported for the synthesis of cadmium sulfide (CdS) QDs using dendrimers, which can be categorized mainly into two general approaches. The first approach utilizes dendrimers as capping agents, resulting in the formation of agglomerates of spatially segregated QDs stabilized by multiple dendrimers. We have described the synthesis and characterization of the CdS QDs using G6-NH{sub 2} dendrimers. By controlling the molar ratios (n = Cd2+/G6-NH{sub 2}) between the Cd{sup 2+} ions and G6-NH{sub 2} dendrimers, we synthesized a set of CdS QDs with different structural and optical properties. Importantly, the synthesized CdS QDs exhibited H{sub 2}O{sub 2}-sensitive fluorescence, which can be utilized for the detection of H{sub 2}O{sub 2}. Especially, the CdS QDs with n = 64 displayed a Stern–Volmer relationship between the fluorescence of the CdS QDs and the concentration of H{sub 2}O{sub 2}, as well as the strongest fluorescence among the set of the synthesized CdS QDs. Since core-shell structures of QDs often result in enhanced stability and quantum efficiency of the QDs, we are currently working on core-shell structured QDs prepared using dendrimers to improve their stability and quantum yield compared to the CdS QDs reported in the present study.

  13. Synthesis and structure of heptaaqua(nitrilotris(methylenephosphonato))(dibarium)sodium monohydrate [Na(H{sub 2}O){sub 3}(μ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3})(μ-H{sub 2}O){sub 3}Ba{sub 2}(H{sub 2}O)] · H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Somov, N. V., E-mail: somov@phys.unn.ru [Lobachevsky State University of Nizhny Novgorod (Russian Federation); Chausov, F. F., E-mail: xps@ftiudm.ru [Russian Academy of Sciences, Physical–Technical Institute, Ural Branch (Russian Federation); Zakirova, R. M., E-mail: ftt@udsu.ru [Udmurt State University (Russian Federation)

    2017-03-15

    Crystals of the monohydrate form of heptaaqua(nitrilotris(methylenephosphonato))(dibarium) sodium [Na(H{sub 2}O{sub )3}(µ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3})(µ-H{sub 2}O){sub 3}Ba{sub 2}(H{sub 2}O)] · H{sub 2}O are obtained; space group P2{sub 1}/c, Z = 4; a = 13.9117(10) Å, b = 11.54030(10) Å, and c = 24.1784(17) Å, ß = 148.785(18)°. The Na atom is coordinated octahedrally by one oxygen atom of a phosphonate group and five water molecules, including two bridging molecules. Ba atoms occupy two inequivalent crystallographic positions with coordination number eight and nine. The coordination spheres of both Ba atoms include two water molecules. Each ligand is bound to one Na atom and five Ba atoms forming three Ba–O–P–O and five Ba–O–P–C–N–C–P–O chelate cycles. In addition to the coordination bonds, molecules, including the solvate water molecule, are involved in hydrogen bonds in the crystal packing.

  14. Theoretical investigation of molecular hydrogen reactions with active centres in B6H5- and AlB6H5- clusters

    International Nuclear Information System (INIS)

    Mebel', A.M.; Charkin, O.P.

    1991-01-01

    Nonempirical calculations of sections of potential surface (PS) along the shortest way of reaction of hydrogen interaction with different active centres in AlB 5 H 5 - cluster were conducted. Mechanisms of reactions of valent-saturated hydrides (BH, AlH) and clusters (B 6 H 5 - , AlB 5 H 5 - ) with molecular hydrogen are correlated. Qualitative model enabling to form an opinion about the presence or the absence of barrier on PS of the shortest way of reactions of breaking σ-bond of H-H type on the active centre of cluster, is suggested. The model is based on analysis of the character of canonical MO reagents and products

  15. Synthesis and crystal structure of Na6[(UO2)3O(OH)3(SeO4)2]2·10H2O

    International Nuclear Information System (INIS)

    Baeva, E.Eh.; Serezhkina, L.B.; Virovets, A.V.; Peresypkina, E.V.

    2006-01-01

    The complex Na 6 [(UO 2 ) 3 O(OH) 3 (SeO 4 ) 2 ] 2 ·10H 2 O (I) is synthesized and studied by monocrystal X-ray diffraction. The compound crystallizes in the orthorhombic crystal system with the unit cell parameters: a=14.2225(7) A, b=18.3601(7) A, c=16.5406(6) A, V=4319.2(3) A 3, Z=4, space group Cmcm, R 1 =0.0406. Compound I is found to be a representative of the crystal-chemical group A 3 M 3 M 3 2 T 2 3 (A=UO 2 2+ , M 3 =O 2- , M 2 =OH - , T 3 =SeO 4 2- ) of the uranyl complexes; it contains layer uranium-containing groups [(UO 2 ) 3 O(OH) 3 (SeO 4 ) 2 ] 3- . These layers are linked to form a three-dimensional cage through bonds formed by the sodium atoms with the oxygen atoms of the uranyl ions and SeO 4 groups that belong to different layers [ru

  16. [Pr2(pdc3(Hpdc(H2O4]n·n(H3hp·8n(H2O, a One-Dimensional Coordination Polymer Containing PrO6N3 Tri-Capped Trigonal Prisms and PrO8N Mono-Capped Square Anti-Prisms (H2pdc = Pyridine 2,6-Dicarboxylic Acid, C7H5NO4; 3hp = 3-Hydroxy Pyridine, C5H5NO

    Directory of Open Access Journals (Sweden)

    Shahzad Sharif

    2012-08-01

    Full Text Available The synthesis, structure and some properties of the one-dimensional coordination polymer, [Pr2(pdc3(Hpdc]n·n(H3hp·8n(H2O, (H2pdc = pyridine 2,6-dicarboxylic acid, C7H5NO4; 3hp = 3-hydroxypyridine, C5H5NO are described. One of the Pr3+ ions is coordinated by two O,N,O-tridentate pdc2− ligands and one tridentate Hpdc− anion to generate a fairly regular PrO6N3 tri-capped trigonal prism, with the N atoms acting as the caps. The second Pr3+ ion is coordinated by one tridentate pdc2− dianion, four water molecules and two monodentate bridging pdc2− ligands to result in a PrO8N coordination polyhedron that approximates to a mono-capped square-anti-prism. The ligands bridge the metal-atom nodes into a chain, which extends in the [100] direction. The H3hp+ cation and uncoordinated water molecules occupy the inter-chain regions and an N–HLO and numerous O–HLO hydrogen bonds consolidate the structure. The H3hp+ species appears to intercalate between pendant pdc rings to consolidate the polymeric structure. Crystal data: 1 (C33H43N5O29Pr2, Mr = 1255.54, triclinic,  (No. 2, Z = 2, a = 13.2567(1 Å, b = 13.6304(2 Å, c = 13.6409(2 Å, α = 89.695(1°, β = 63.049(1°, γ = 86.105(1°, V = 2191.16(5 Å3, R(F = 0.033, wR(F2 = 0.084.

  17. [Mechanism and performance of styrene oxidation by O3/H2O2].

    Science.gov (United States)

    He, Jue-Cong; Huang, Qian-Ru; Ye, Qi-Hong; Luo, Yu-Wei; Zhang, Zai-Li; Fan, Qing-Juan; Wei, Zai-Shan

    2013-10-01

    It can produce a large number of free radicals in O3/H2O2, system, ozone and free radical coupling oxidation can improve the styrene removal efficiency. Styrene oxidation by O3/H2O2 was investigated. Ozone dosage, residence time, H2o2 volume fraction, spray density and molar ratio of O3/C8H8 on styrene removal were evaluated. The experimental results showed that styrene removal efficiency achieved 85.7%. The optimal residence time, H2O2, volume fraction, spray density and O3/C8H8 molar ratio were 20. 6 s, 10% , 1.72 m3.(m2.h)-1 and 0.46, respectively. The gas-phase degradation intermediate products were benzaldehyde(C6H5CHO) and benzoic acid (C6H5 COOH) , which were identified by means of gas chromatography-mass spectrometry(GC-MS). The degradation mechanism of styrene is presented.

  18. Study of the solubility, viscosity and density in Na+, Zn2+/Cl− − H2O, Na+ − Zn2+ − (H2PO2)− − H2O, Na+, Cl−/(H2PO2)− − H2O, and Zn2+, Cl−/(H2PO2)− − H2O ternary systems, and in Na+, Zn2+/Cl−, (H2PO2)−//H2O reciprocal quaternary system at 273.15 K

    International Nuclear Information System (INIS)

    Adiguzel, Vedat; Erge, Hasan; Alisoglu, Vahit; Necefoglu, Hacali

    2014-01-01

    Highlights: • The physicochemical properties of ternary and one quaternary have been studied. • Reciprocal quaternary systems’ solubility and phase equilibrium have been studied. • In all systems the solid phases have been found. • It was found that Zn(H 2 PO 2 ) 2 salt contains 70% of the general crystallization field. - Abstract: The solubility and the physicochemical properties (density, viscosity) in the Na-Zn- Cl-H 2 O), (Na + Zn + H 2 PO 2 + H 2 O), (Na + Cl + H 2 PO 2 + H 2 O), and (Zn + Cl + H 2 PO 2 + H 2 O) ternaries, and in Na + , Zn 2+ /Cl − , (H 2 PO 2 ) − //H 2 O reciprocal quaternary systems at T = 273.15 K were investigated by using the isothermal method. The diagrams of ternary salts systems, (NaCl + ZnCl 2 + H 2 O), (NaCl + NaH 2 PO 2 + H 2 O), (NaH 2 PO 2 + Zn(H 2 PO 2 ) 2 + H 2 O), (ZnCl 2 + Zn(H 2 PO 2 ) 2 + H 2 O), are plotted in figures 1–4. However, whole ions of reciprocal quaternary salt systems are plotted in figure 5. Additionally, the density and viscosity values of ternary systems vs. their corresponding composition values in weight per cent are plotted in figures 6–10. At the (i) (ZnCl 2 + Zn(H 2 PO 2 ) 2 + H 2 O), (ii) (NaCl + ZnCl 2 + H 2 O), (iii) (NaCl + NaH 2 PO 2 + H 2 O), (iv) (NaH 2 PO 2 + Zn(H 2 PO 2 ) 2 + H 2 O) ternary systems the solid phase compositions have been determined as: (i) Zn(H 2 PO 2 ) 2H 2 O, Zn(H 2 PO 2 ) 2 , ZnCl 22H 2 O, (ii) NaCl, 2NaCl ⋅ ZnCl 22H 2 O, and ZnCl 22H 2 O, (iii) NaCl and NaH 2 PO 2H 2 O, (iv) Zn(H 2 PO 2 ) 2H 2 O and NaH 2 PO 2H 2 O, respectively. On the other hand reciprocal quaternary system was observed as: ZnCl 22H 2 O, 2NaCl ⋅ ZnCl 22H 2 O, Zn(H 2 PO 2 ) 2H 2 O, NaH 2 PO 2H 2 O, NaCl. According to results, the least soluble salt was Zn(H 2 PO 2 ) 2 . The crystallization field of this salt, being the largest in comparison with those of other salts, occupied 70% of the general crystallization field

  19. Solubility of NaNd(CO3)2.6H2O(c) in concentrated Na2CO3 and NaHCO3 solutions

    International Nuclear Information System (INIS)

    Rao, L.; Rai, D.; Felmy, A.R.; Fulton, R.W.; Novak, C.F.

    1996-01-01

    NaNd(CO 3 ) 2 x 6 H 2 O(c) was identified to be the final equilibrium solid phase in suspensions containing concentrated sodium carbonate (0.1 to 2.0 M) and sodium bicarbonate (0.1 to 1.0 M), with either NaNd(CO 3 ) 2 x 6 H 2 O(c) or Nd 2 (CO 3 ) 3 x xH 2 O(s) as initial solids. A thermodynamic model, based on Pitzer's specific into-interaction approach, was developed to interpret the solubility of NaNd(CO 3 ) 2 x 6 H 2 O(c) as functions of sodium carbonate and sodium bicarbonate concentrations. In this model, the solubility data of NaNd(CO 3 ) 2 x 6 H 2 O(c) were explained by assuming the formation of NdCO 3 + , Nd(CO 3 ) 2 - and Nd(CO 3 ) 3 3- species and invoking the specific ion interactions between Na + and Nd(CO 3 ) 3 3- . Ion interaction parameters for Na + -Nd(CO 3 ) 3 3- were developed to fit the solubility data. Based on the model calculations, Nd(CO 3 ) 3 3- was the predominant aqueous neodymium species in 0.1 to 2 M sodium carbonate and 0.1 to 1 M sodium bicarbonate solutions. The logarithm of the NaNd(CO 3 ) 2 x 6 H 2 O solubility product (NaNd(CO 3 ) 2 x 6 H 2 O(c)=Na + +Nd 3+ +2 CO 3 2- +6 H 2 O) was calculated to be -21.39. This model also provided satisfactory interpretation of the solubility data of the analogous Am(III) system in less concentrated carbonate and bicarbonate solutions. (orig.)

  20. Highly Durable Na2V6O16·1.63H2O Nanowire Cathode for Aqueous Zinc-Ion Battery.

    Science.gov (United States)

    Hu, Ping; Zhu, Ting; Wang, Xuanpeng; Wei, Xiujuan; Yan, Mengyu; Li, Jiantao; Luo, Wen; Yang, Wei; Zhang, Wencui; Zhou, Liang; Zhou, Zhiqiang; Mai, Liqiang

    2018-03-14

    Rechargeable aqueous zinc-ion batteries are highly desirable for grid-scale applications due to their low cost and high safety; however, the poor cycling stability hinders their widespread application. Herein, a highly durable zinc-ion battery system with a Na 2 V 6 O 16 ·1.63H 2 O nanowire cathode and an aqueous Zn(CF 3 SO 3 ) 2 electrolyte has been developed. The Na 2 V 6 O 16 ·1.63H 2 O nanowires deliver a high specific capacity of 352 mAh g -1 at 50 mA g -1 and exhibit a capacity retention of 90% over 6000 cycles at 5000 mA g -1 , which represents the best cycling performance compared with all previous reports. In contrast, the NaV 3 O 8 nanowires maintain only 17% of the initial capacity after 4000 cycles at 5000 mA g -1 . A single-nanowire-based zinc-ion battery is assembled, which reveals the intrinsic Zn 2+ storage mechanism at nanoscale. The remarkable electrochemical performance especially the long-term cycling stability makes Na 2 V 6 O 16 ·1.63H 2 O a promising cathode for a low-cost and safe aqueous zinc-ion battery.

  1. An i.r. investigation on some calcium aluminate hydrates, Ca2Al(OH)6+X-.yH2O (= 3CaO.Al2O3.CaX2.nH2O, X- = univalent anion)

    NARCIS (Netherlands)

    Houtepen, C.J.M.; Stein, H.N.

    1976-01-01

    The i.r. spectra of some hydrated and dehydrated calcium aluminate hydrates of the type Ca2Al(OH)6+X-·yH2O with X- = Cl-, Br-, J-, ClO3-, NO3-, ClO4- (y = 2) and X- = BrO3-, JO3- (2

  2. Enhanced interfacial contact between PbS and TiO2 layers in quantum dot solar cells using 2D-arrayed TiO2 hemisphere nanostructures

    Science.gov (United States)

    Lee, Wonseok; Ryu, Ilhwan; Lee, Haein; Yim, Sanggyu

    2018-02-01

    Two-dimensionally (2D) arrayed hemispherical nanostructures of TiO2 thin films were successfully fabricated using a simple procedure of spin-coating or dip-coating TiO2 nanoparticles onto 2D close-packed polystyrene (PS) nanospheres, followed by PS extraction. The nanostructured TiO2 film was then used as an n-type layer in a lead sulfide (PbS) colloidal quantum dot solar cell. The TiO2 nanostructure could provide significantly increased contacts with subsequently deposited PbS quantum dot layer. In addition, the periodically arrayed nanostructure could enhance optical absorption of the cell by redirecting the path of the incident light and increasing the path length passing though the active layer. As a result, the power conversion efficiency (PCE) reached 5.13%, which is approximately a 1.7-fold increase over that of the control cell without nanostructuring, 3.02%. This PCE enhancement can mainly be attributed to the increase of the short-circuit current density from 19.6 mA/cm2 to 30.6 mA/cm2, whereas the open-circuit voltage and fill factor values did not vary significantly.

  3. Synthesis and characteristics of a novel 3-D organic amine oxalate: (enH2)1.5[Bi3(C2O4)6(CO2CONHCH2CH2NH3)].6.5H2O

    International Nuclear Information System (INIS)

    Yu Xiaohong; Zhang Hanhui; Cao Yanning; Chen Yiping; Wang Zhen

    2006-01-01

    A novel 3-D compound of (enH 2 ) 1.5 [Bi 3 (C 2 O 4 ) 6 (CO 2 CONHCH 2 CH 2 NH 3 )].6.5H 2 O has been hydrothermally synthesized and characterized by IR, ultraviolet-visible diffuse reflection integral spectrum (UV-Vis DRIS), fluorescence spectra, TGA and single crystal X-ray diffraction. It crystallizes in the monoclinic system, space group C2/c with a=31.110(8)A, b=11.544(3)A, c=22.583(6)A, β=112.419(3) o , V=7497(3)A 3 , Z=8, R 1 =0.0463 and wR 2 =0.1393 for unique 7686 reflections I>2σ(I). In the title compound, the Bi atoms have eight-fold and nine-fold coordination with respect to the oxygen atoms, with the Bi atoms in distorted dodecahedron and monocapped square antiprism, respectively. The 3-D framework of the title compound contains channels and is composed of linkages between Bi atoms and oxalate units, forming honeycomb-like layers with two kinds of 6+6 membered aperture, and pillared by oxalate ligands and monamide groups. The channels have N-ethylamine oxalate monamide group - CO 2 CONHCH 2 CH 2 NH 3 + , which is formed by the in situ reaction of en and oxalate acid. At room temperature, the complex exhibits intense blue luminescence with an emission peak at 445nm

  4. Phase formation in the systems ZrO2-H2SO4-Na2SO4 (NaCl)-H2O

    International Nuclear Information System (INIS)

    Sozinova, Yu.P.; Motov, D.L.; Rys'kina, M.P.

    1988-01-01

    Formation of solid phases in the systems ZrO 2 - H 2 SO 4 - Na 2 SO 4 (NaCl) - H 2 O at 25 and 75 deg C is studied. Three basic Na 2 Zr(OH) 2 (SO 4 ) 2 x (0.2 - 0.4)H 2 O, NaZrOH(SO 4 ) 2 x H 2 O, NaZrO 0.5 (OH) 2 SO 4 x 2H 2 O and three normal sodium sulfatozirconates Na 2 Zr(SO 4 ) 3 x 3H 2 O, Na 4 Zr(SO 4 ) 4 x 3H 2 O, Na 6 Zr(SO 4 ) 5 x 4H 2 O have been isolated, their solubility and crystal optical properties are determined

  5. Polymer dots grafted TiO2 nanohybrids as high performance visible light photocatalysts.

    Science.gov (United States)

    Li, Gen; Wang, Feng; Liu, Peng; Chen, Zheming; Lei, Ping; Xu, Zhongshan; Li, Zengxi; Ding, Yanfen; Zhang, Shimin; Yang, Mingshu

    2018-04-01

    As a new member of carbon dots (CDs), Polymer dots (PDs) prepared by hydrothermal treatment of polymers, usually consist of the carbon core and the connected partially degraded polymer chains. This type of CDs might possess aqueous solubility, non-toxicity, excellent stability against photo-bleaching and high visible light activity. In this research, PDs were prepared by a moderate hydrothermal treatment of polyvinyl alcohol, and PDs grafted TiO 2 (PDs-TiO 2 ) nanohybrids with TiOC bonds were prepared by a facile in-situ hydrothermal treatment of PDs and Ti (SO 4 ) 2 . Under visible light irradiation, the PDs-TiO 2 demonstrate excellent photocatalytic activity for methyl orange degradation, and the photocatalytic rate constant of PDs-TiO 2 is 3.6 and 9.5 times higher than that of pure TiO 2 and commercial P25, respectively. In addition, the PDs-TiO 2 exhibit good recycle stability under UV-Vis light irradiation. The interfacial TiOC bonds and the π-conjugated structures in PDs-TiO 2 can act as the pathways to quickly transfer the excited electrons between PDs and TiO 2 , therefore contribute to the excellent photocatalytic activity. Copyright © 2018 Elsevier Ltd. All rights reserved.

  6. Synthesis, spectroscopic, structural and thermal characterizations of [(C7H6NO42TeBr6·4H2O

    Directory of Open Access Journals (Sweden)

    S. Smaoui

    2018-02-01

    Full Text Available Tellurium (IV complexes with pyridine-2,6-dicarboxylate ligand were synthesized by slow evaporation from aqueous solutions yielding a new compound: [(C7H6NO42TeBr6·4H2O]. The structure of this compound was solved and refined by single-crystal X-ray diffraction. The compound is centrosymmetric P21/c (N°: 14 with the parameters a = 8.875(5 Å, b = 15.174(5 Å, c = 10.199(5 Å, β = 94.271° (5 and Z = 2. The structure consists of isolated H2O, isolated [TeBr6]2− octahedral anions and (pyridine-2,6-dicarboxylate [C7H6NO4]+ cations. The stability of the structure was ensured by ionic and hydrogen bonding contacts (N–H⋯Br and O–H⋯Br and Van-Der Walls interaction. The thermal decomposition of the compound was studied by thermogravimetric analysis (TGA and differential scanning calorimetry (DSC. The FTIR and Raman spectroscopy at different temperatures confirm the existence of vibrational modes that correspond to the organic, inorganic and water molecular groups. Additionally, the UV–Vis diffuse reflectance spectrum was recorded in order to investigate the band gap nature. The measurements show that this compound exhibits a semiconducting behavior with an optical band gap of 2.66 eV.

  7. Synthesis and study of NH4[HSiUO6]·0.5H2O

    International Nuclear Information System (INIS)

    Chernorukov, N.G.; Kortikov, V.E.

    2000-01-01

    Previously unknown ammonium uranosilicate of NH 4 [HSiUO 6 ]·0.5H 2 O composition is synthesised by precipitation from aqueous solution containing ammonium chloride, uranyl nitrate and quartz glass with the size of granules ≤ 2. On evidence of X-ray diffraction ammonium uranosilicate is a full crystallographic analog of proper lithium and potassium derivatives with approaching parameters of crystal lattices: a= 7.01(2), b=7.03(8), c=6.65(9) A, β=105.6(0) Deg. Functional composition and peculiarity of ammonium uranosilicate structure are detected by IR spectroscopic study. Scheme of thermal decomposition of ammonium uranosilicate is demonstrated based on thermal gravimetric and X-ray diffraction measurements. NH 4 [HSiUO 6 ]·0.5H 2 O is among of morphotropic raw of A 1/k k HSiUO 6 ·nH 2 O [ru

  8. Complexing in (NH4)2SeO4-UO2SeO4 H2O system

    International Nuclear Information System (INIS)

    Serezhkina, L.B.

    1994-01-01

    Isotherm of solubility in the (NH 4 ) 2 SeO 4 -UO 2 SeO 4 -H 2 O system has been constructed at 25 deg C. (NH 4 ) 2 (UO 2 ) 2 (SeO 4 ) 3 x6H 2 O formation is established for the first time and certain its physicochemical properties are determined. Regularities of complexing in the R 2 Se) 4 -UO 2 SeO 4 -H 2 O systems, where R-univalent cation are under discussion. 6 refs.; 3 tabs

  9. Glucose-6-phosphate dehydrogenase deficiency does not increase the susceptibility of sperm to oxidative stress induced by H2O2.

    Science.gov (United States)

    Roshankhah, Shiva; Rostami-Far, Zahra; Shaveisi-Zadeh, Farhad; Movafagh, Abolfazl; Bakhtiari, Mitra; Shaveisi-Zadeh, Jila

    2016-12-01

    Glucose-6-phosphate dehydrogenase (G6PD) deficiency is the most common human enzyme defect. G6PD plays a key role in the pentose phosphate pathway, which is a major source of nicotinamide adenine dinucleotide phosphate (NADPH). NADPH provides the reducing equivalents for oxidation-reduction reductions involved in protecting against the toxicity of reactive oxygen species such as H 2 O 2 . We hypothesized that G6PD deficiency may reduce the amount of NADPH in sperms, thereby inhibiting the detoxification of H 2 O 2 , which could potentially affect their motility and viability, resulting in an increased susceptibility to infertility. Semen samples were obtained from four males with G6PD deficiency and eight healthy males as a control. In both groups, motile sperms were isolated from the seminal fluid and incubated with 0, 10, 20, 40, 60, 80, and 120 µM concentrations of H 2 O 2 . After 1 hour incubation at 37℃, sperms were evaluated for motility and viability. Incubation of sperms with 10 and 20 µM H 2 O 2 led to very little decrease in motility and viability, but motility decreased notably in both groups in 40, 60, and 80 µM H 2 O 2 , and viability decreased in both groups in 40, 60, 80, and 120 µM H 2 O 2 . However, no statistically significant differences were found between the G6PD-deficient group and controls. G6PD deficiency does not increase the susceptibility of sperm to oxidative stress induced by H 2 O 2 , and the reducing equivalents necessary for protection against H 2 O 2 are most likely produced by other pathways. Therefore, G6PD deficiency cannot be considered as major risk factor for male infertility.

  10. DNA-Binding Study of Tetraaqua-bis(p-nitrobenzoatocobalt(II Dihydrate Complex: [Co(H2O4(p-NO2C6H4COO2]·2H2O

    Directory of Open Access Journals (Sweden)

    Hacali Necefoglu

    2007-06-01

    Full Text Available The interaction of [Co(H2O4(p-NO2C6H4COO2]. 2H2O with sheep genomicDNA has been investigated by spectroscopic studies and electrophoresis measurements.The interaction between cobalt(II p-nitrobenzoate and DNA has been followed by gelelectrophoresis while the concentration of the complex was increased from 0 to 14 mM.The spectroscopic study and electrophoretic experiments support the fact that the complexbinds to DNA by intercalation via p-nitrobenzoate into the base pairs of DNA. Themobility of the bands decreased as the concentration of complex was increased, indicatingthat there was increase in interaction between the metal ion and DNA.

  11. Electrical Conductivity of Cancrinite-Type Na8 - 2 x Ca x [Al6Si6O24][CO3] · 2H2O ( x ≤ 0.03) Crystals

    Science.gov (United States)

    Sorokin, N. I.

    2018-05-01

    The electrical conductivity of crystals of artificial cancrinite Na8 - 2 x Ca x [Al6Si6O24][CO3] · 2H2O ( x ≤ 0.03) has been studied in the temperature range of 498-604 K. These crystals were grown by hydrothermal synthesis on a seed in the Na2O-Al2O3-SiO2-H2O system ( t = 380-420°C, P = 3 × 107-9 × 107 Pa). The ionic conductivity of a single-crystal sample (sp. gr. P63), measured along the crystallographic axis c, is low: σ = 8 × 10-7 S/cm at 300°C. The electric transport activation energy is E a = 0.81 ± 0.05 eV. The relationship between the ionic conductivity and specific features of the atomic structure of cancrinites is discussed.

  12. Reaction of ferric leghemoglobin with H2O2

    DEFF Research Database (Denmark)

    Moreau, S; Davies, M J; Puppo, A

    1995-01-01

    Ferric leghemoglobin in the presence of H2O2 is known to give rise to protein radicals, at least one of which is centred on a tyrosine residue. These radicals are quenched by at least two processes. The first one involves an intramolecular heme-protein cross-link probably involving the tyrosine r...

  13. Trace amounts of Cu{sup 2+} ions influence ROS production and cytotoxicity of ZnO quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Moussa, Hatem [CNRS and Université de Lorraine, Laboratoire Réactions et Génie des Procédés (LRGP), CNRS UMR 7274, 1 rue Grandville, 54001 Nancy (France); Laboratoire de Biosurveillance de l' Environnement, Université de Carthage, Faculté des Sciences de Bizerte, 7021 Jarzouna, Bizerte (Tunisia); Merlin, Christophe [CNRS and Université de Lorraine, Laboratoire de Chimie Physique et Microbiologie pour l' Environnement (LCPME), CNRS UMR 7564, 15 Avenue du Charmois, 54500 Vandoeuvre-lès-Nancy (France); Dezanet, Clément [CNRS and Université de Lorraine, Laboratoire Réactions et Génie des Procédés (LRGP), CNRS UMR 7274, 1 rue Grandville, 54001 Nancy (France); Balan, Lavinia [Institut de Science des Matériaux de Mulhouse (IS2M), CNRS UMR 7361, 15 rue Jean Starcky, 68093 Mulhouse (France); Medjahdi, Ghouti [CNRS and Université de Lorraine, Institut Jean Lamour (IJL), UMR CNRS 7198, BP 70239, 54506 Vandoeuvre-lès-Nancy Cedex (France); Ben-Attia, Mossadok [Laboratoire de Biosurveillance de l' Environnement, Université de Carthage, Faculté des Sciences de Bizerte, 7021 Jarzouna, Bizerte (Tunisia); and others

    2016-03-05

    Highlights: • Chemisorbed Cu{sup 2+} ions on ZnO QDs enhance ROS production. • A mechanism combining excited electrons and holes and Fenton reactions is proposed. • ZnO@APTMS/Cu QDs were found to be the most deleterious to E. coli cells. - Abstract: 3-Aminopropyltrimethoxysilane (APTMS) was used as ligand to prepare ZnO@APTMS, Cu{sup 2+}-doped ZnO (ZnO:Cu@APTMS) and ZnO quantum dots (QDs) with chemisorbed Cu{sup 2+} ions at their surface (ZnO@APTMS/Cu). The dots have a diameter of ca. 5 nm and their crystalline and phase purities and composition were established by X-ray diffraction, transmission electron microscopy, UV-visible and fluorescence spectroscopies and by X-ray photoelectron spectroscopy. The effect of Cu{sup 2+} location on the ability of the QDs to generate reactive oxygen species (ROS) under light irradiation was investigated. Results obtained demonstrate that all dots are able to produce ROS (·OH, O{sub 2}·{sup −}, H{sub 2}O{sub 2} and {sup 1}O{sub 2}) and that ZnO@APTMS/Cu QDs generate more ·OH and O{sub 2}·{sup −} radicals and H{sub 2}O{sub 2} than ZnO@APTMS and ZnO:Cu@APTMS QDs probably via mechanisms associating photo-induced charge carriers and Fenton reactions. In cytotoxicity experiments conducted in the dark or under light exposure, ZnO@APTMS/Cu QDs appeared slightly more deleterious to Escherichia coli cells than the two other QDs, therefore pointing out the importance of the presence of Cu{sup 2+} ions at the periphery of the nanocrystals. On the other hand, with the lack of photo-induced toxicity, it can be inferred that ROS production cannot explain the cytotoxicity associated to the QDs. Our study demonstrates that both the production of ROS from ZnO QDs and their toxicity may be enhanced by chemisorbed Cu{sup 2+} ions, which could be useful for medical or photocatalytic applications.

  14. Synthetic, spectroscopic and structural studies on 4-aminobenzoate complexes of divalent alkaline earth metals: x-ray crystal structures of [[Mg(H2O)6] (4-aba)2].2H2O and [Ca(H2O)2(4-aba)2] (4-aba=4-aminobenzoate)

    International Nuclear Information System (INIS)

    Murugavel, Ramaswamy; Karambelkar, Vivek V.; Anantharaman, Ganapathi

    2000-01-01

    Reactions between MCl 2 .nH 2 O (M = Mg, Ca, Sr, and Ba) and 4-aminobenzoic acid (4-abaH) result in the formation of complexes [(Mg(H 2 O) 6 )(4-aba) 2 ) .2H 2 O (I), [Ca(4-aba) 2 (H2 O ) 2 ] (2), [Sr(4-aba) 2 (H2 O ) 2 ] (3), and [Ba(4-aba) 2 Cl] (4), respectively. The new compounds 1 and 2, as well as the previously reported 3 and 4 form an extended intra- and intermolecular hydrogen bonded network in the solid-state. The compounds have been characterized by elemental analysis, pH measurements, thermogravimetric studies, and IR, NMR, and UV-Vis spectroscopy. The solid state structures of the molecules 1 and 2 have been determined by single crystal x-ray diffraction studies. In the case of magnesium complex 1, the dipositively charged Mg cation is surrounded by six water molecules and the two 4-aminobenzoate ligands show no direct bonding to the metal ion. The calcium ion in 2 is octa-coordinated with direct coordination of the 4-aminobenzoate ligands to the metal ion. The Ca-Ca separation in the polymeric chain of 2 is 3.9047(5) A. (author)

  15. Study of the reversible water vapour sorption process of MgSO4.7H2O and MgCl2.6H2O under the conditions of seasonal solar heat storage

    NARCIS (Netherlands)

    Ferchaud, C.; Zondag, H.A.; Veldhuis, J.B.J.; Boer, de R.

    2012-01-01

    The characterization of the structural, compositional and thermodynamic properties of MgSO4.7H2O and MgCl2.6H2O has been done using in-situ X-ray Diffraction and thermal analyses (TG/DSC) under practical conditions for seasonal heat storage (Tmax=150°C, p(H2O)=13 mbar). This study showed that these

  16. Solar degradation of 5-amino-6-methyl-2-benzimidazolone by TiO2 and iron(III) catalyst with H2O2 and O2 as electron acceptors

    International Nuclear Information System (INIS)

    Sarria, Victor; Peringer, Paul; Caceres, Julia; Blanco, Julian; Malato, Sixto; Pulgarin, Cesar

    2004-01-01

    Wastewater containing mainly 5-amino-6-methyl-2-benzimidazolone (AMBI), used in the manufacture of dyes, was characterized as bio-recalcitrant by means of different biodegradability tests. In order to enhance the biodegradability of this important pollutant, solar photocatalytic degradation methods were explored. The systems light/TiO 2 /O 2 , light/TiO 2 /H 2 O 2 , light/Fe 3+ /O 2 and light/Fe 3+ /H 2 O 2 were compared under direct sunlight at the Plataforma Solar de Almeria (Spain), using a Compound Parabolic Collector (CPC). The iron photo-assisted systems exhibited the most interesting behaviour, from the kinetic and engineering points of view, especially if their combination (as pre-treatment) with a biological process is considered. To compare the efficiency of these systems, the evolution of the following parameters were studied: (a) the dissolved organic carbon and initial compound concentration, (b) the toxicity, and (c) the biodegradability of treated solution. At lab scale, using a solar lamp, the degradation rate of the system light/Fe 3+ /H 2 O 2 was two times higher than the system light/Fe 3+ /O 2 but this last system does not need H 2 O 2 addition, improving the economical requirements of the system

  17. An open-framework three-dimensional indium oxalate: [In(OH)(C2O4)(H2O)]3.H2O

    International Nuclear Information System (INIS)

    Yang Sihai; Li Guobao; Tian Shujian; Liao Fuhui; Lin Jianhua

    2005-01-01

    By hydrothermal reaction of In 2 O 3 with H 2 C 2 O 4 .2H 2 O in the presence of H 3 BO 3 at 155 deg. C, an open-framework three-dimensional indium oxalate of formula [In(OH)(C 2 O 4 )(H 2 O)] 3 .H 2 O (1) has been obtained. The compound crystallizes in the trigonal system, space group R3c with a=18.668(3)A, c=7.953(2)A, V=2400.3(7)A 3 , Z=6, R 1 =0.0352 at 298K. The small pores in 1 are filled with water molecules. It loses its filled water at about 180 deg. C without the change of structure, then the bounded water at 260 deg. C, and completely decompounds at 324 deg. C. The residue is confirmed to be In 2 O 3

  18. SIMULTANEOUS OBSERVATIONS OF SiO AND H{sub 2}O MASERS TOWARD KNOWN STELLAR H{sub 2}O MASER SOURCES

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jaeheon [Yonsei University Observatory, Seongsan-ro 262, Seodaemun, Seoul 120-749 (Korea, Republic of); Cho, Se-Hyung [Korean VLBI Network Yonsei Radio Astronomy Observatory, Yonsei University, Seongsan-ro 262, Seodaemun, Seoul 120-749 (Korea, Republic of); Kim, Sang Joon, E-mail: jhkim@kasi.re.kr, E-mail: cho@kasi.re.kr, E-mail: sjkim1@khu.ac.kr [Department of Astronomy and Space Science, Kyung Hee University, Seocheon-Dong, Giheung-Gu, Yongin, Gyeonggi-Do 446-701 (Korea, Republic of)

    2013-01-01

    We present the results of simultaneous observations of SiO v = 1, 2, {sup 29}SiO v = 0, J = 1-0, and H{sub 2}O 6{sub 16}-5{sub 23} maser lines toward 152 known stellar H{sub 2}O maser sources using the Yonsei 21 m radio telescope of the Korean VLBI Network from 2009 June to 2011 January. Both SiO and H{sub 2}O masers were detected from 62 sources with a detection rate of 40.8%. The SiO-only maser emission without H{sub 2}O maser detection was detected from 27 sources, while the H{sub 2}O-only maser without SiO maser detection was detected from 22 sources. Therefore, the overall SiO maser emission was detected from 89 sources, resulting in a detection rate of 58.6%. We have identified 70 new detections of the SiO maser emission. For both H{sub 2}O and SiO maser detected sources, the peak and integrated antenna temperatures of SiO masers are stronger than those of H{sub 2}O masers in both Mira variables and OH/IR stars and the relative intensity ratios of H{sub 2}O to SiO masers in OH/IR stars are larger than those in Mira variables. In addition, distributions of 152 observed sources were investigated in the IRAS two-color diagram.

  19. A two-dimensional CdII coordination polymer: poly[diaqua[μ3-5,6-bis(pyridin-2-ylpyrazine-2,3-dicarboxylato-κ5O2:O3:O3,N4,N5]cadmium

    Directory of Open Access Journals (Sweden)

    Monserrat Alfonso

    2016-09-01

    Full Text Available The reaction of 5,6-bis(pyridin-2-ylpyrazine-2,3-dicarboxylic acid with cadmium dichloride leads to the formation of the title two-dimensional coordination polymer, [Cd(C16H8N4O4(H2O2]n. The metal atom is sevenfold coordinated by one pyrazine and one pyridine N atom, two water O atoms, and by two carboxylate O atoms, one of which bridges two CdII atoms to form a Cd2O2 unit situated about a centre of inversion. Hence, the ligand coordinates to the cadmium atom in an N,N′,O-tridentate and an O-monodentate manner. Within the polymer network, there are a number of O—H...O hydrogen bonds present, involving the water molecules and the carboxylate O atoms. There are also C—H...N and C—H...O hydrogen bonds present. In the crystal, the polymer networks lie parallel to the bc plane. They are aligned back-to-back along the a axis with the non-coordinating pyridine rings directed into the space between the networks.

  20. Linear and nonlinear intraband optical properties of ZnO quantum dots embedded in SiO2 matrix

    Directory of Open Access Journals (Sweden)

    Deepti Maikhuri

    2012-03-01

    Full Text Available In this work we investigate some optical properties of semiconductor ZnO spherical quantum dot embedded in an amorphous SiO2 dielectric matrix. Using the framework of effective mass approximation, we have studied intraband S-P, and P-D transitions in a singly charged spherical ZnO quantum dot. The optical properties are investigated in terms of the linear and nonlinear photoabsorption coefficient, the change in refractive index, and the third order nonlinear susceptibility and oscillator strengths. Using the parabolic confinement potential of electron in the dot these parameters are studied with the variation of the dot size, and the energy and intensity of incident radiation. The photoionization cross sections are also obtained for the different dot radii from the initial ground state of the dot. It is found that dot size, confinement potential, and incident radiation intensity affects intraband optical properties of the dot significantly.

  1. Magnetic susceptibility and specific heat of the one-dimensional conductor (H3O) sub (1,6) Pt (C2O4)2.nH2O at low temperatures

    International Nuclear Information System (INIS)

    Raede, H.S.

    1985-01-01

    It has been shown recently that some transition metal complexes exhibit one-dimensional metallic properties. It is reported, in this context, susceptibility and specific heat measurements of polycrystalline (H 3 O) 1 , 6 Pt(C 2 O 4 ) 2 .nH 2 O in the low temperature range. It is found that the susceptibility can be described by a non-uniform Curie law with a characteristic break in the slope. The specific heat reveals no linear temperature contribution, which could be explained by a transition into a Peierls distorted state. Until 13 0 K, the heat capacity follows a T 3 -law. Deviations at higher temperatures are possibly attributed to the anisotropy of the system [pt

  2. ESR investigation of the reactions of glutathione, cysteine and penicillamine thiyl radicals: competitive formation of RSOcenter dot, Rcenter dot, RSSRcenter dot-. , and RSScenter dot

    Energy Technology Data Exchange (ETDEWEB)

    Becker, David; Swarts, Steven; Champagne, Mark; Sevilla, M D

    1988-05-01

    The reactions of cysteine, glutathione and penicillamine thiyl radicals with oxygen and their parent thiols in frozen solutions have been elucidated with e.s.r. The major sulfur radicals observed are: (1) thiyl radicals, RS center dot; (2) disulfide radical anions, RSSR anion radicals; (3) perthiyl radicals, RSS center dot and upon introduction of oxygen; (4) sulfinyl radicals, RSO center dot, where R represents the remainder of the cysteine, glutathione or penicillamine moiety. The radical product observed depends on pH, concentration of thiol, and presence or absence of molecular oxygen. The sulfinyl radical is a ubiquitous intermediate, peroxyl radical attack on thiols may lead to sulfinyl radicals. The authors elaborate the observed reaction sequences that lead to sulfinyl radicals and, using /sup 17/O isotopic substitution studies, demonstrate the oxygen atom in sulfinyl radicals originates from dissolved molecular oxygen. The glutathione radical is found to abstract hydrogen from the ..cap alpha..-carbon position on the cysteine residue of glutathione to form a carbon-centred radical.

  3. Synthesis and crystal structure of new uranyl selenite(IV)-selenate(VI) [C5H14N][(UO2)3(SeO4)4(HSeO3)(H2O)](H2SeO3)(HSeO4)

    International Nuclear Information System (INIS)

    Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F.; Kalenberg, V.

    2006-01-01

    Crystals of new uranyl selenite(IV)-selenate(VI) [C 5 H 14 N][(UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)](H 2 SeO 3 )(HSeO 4 ) are obtained by the method of evaporation from aqueous solutions. Compound has triclinic lattice, space group P1-bar, a=11.7068(9), b=14.8165(12), c=16.9766(15), α=73.899(6), β=76.221(7), γ=89.361(6) Deg, V=2743.0(4) A 3 , Z=2. Laminated complexes (UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)] 3- are the basis of the structure. [HSe(VI)O 4 ] - , [H 2 Se(IV)O 3 ] complexes and protonated methylbutylamine cations are disposed between layers [ru

  4. Combination of short-length TiO_2 nanorod arrays and compact PbS quantum-dot thin films for efficient solid-state quantum-dot-sensitized solar cells

    International Nuclear Information System (INIS)

    Zhang, Zhengguo; Shi, Chengwu; Chen, Junjun; Xiao, Guannan; Li, Long

    2017-01-01

    Graphical abstract: The TiO_2 nanorod array with the length of 600 nm, the diameter of 20 nm, the areal density of 500 μm"−"2 was successfully prepared. The compact PbS quantum-dot thin film was firstly obtained on the TiO_2 nanorod array by spin-coating-assisted successive ionic layer absorption and reaction with using 1,2-ethanedithiol. The photoelectric conversion efficiency (PCE) of the compact PbS quantum-dot thin film sensitized solar cells achieved 4.10% using spiro-OMeTAD as a hole transporting layer, while the PCE of the PbS quantum-dot sensitized solar cells was only 0.54%. - Highlights: • Preparation of TiO_2 nanorod arrays with the length of 600 nm, diameter of 20 nm. • The compact PbS QD thin film and short-length TiO_2 nanorod array were combined. • EDT addition improved PbS nanoparticle coverage and photovoltaic performance. • The compact PbS QD thin film sensitized solar cell achieved the PCE of 4.10%. - Abstract: Considering the balance of the hole diffusion length and the loading quantity of quantum-dots, the rutile TiO_2 nanorod array with the length of 600 nm, the diameter of 20 nm, and the areal density of 500 μm"−"2 is successfully prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 105 min. The compact PbS quantum-dot thin film on the TiO_2 nanorod array is firstly obtained by the spin-coating-assisted successive ionic layer absorption and reaction with using 1,2-ethanedithiol (EDT). The result reveals that the strong interaction between lead and EDT is very important to control the crystallite size of PbS quantum-dots and obtain the compact PbS quantum-dot thin film on the TiO_2 nanorod array. The all solid-state sensitized solar cell with the combination of the short-length, high-density TiO_2 nanorod array and the compact PbS quantum-dot thin film achieves the photoelectric conversion efficiency of 4.10%, along with an open

  5. Theoretical studies of the optical and EPR spectra for VO^{2+} in Na_3C_6H_5O_7·2H_2O single crystal

    Directory of Open Access Journals (Sweden)

    Ch.-Y. Li

    2015-06-01

    Full Text Available On the basis of the perturbation formulas for a d^1 configuration ion in a tetragonal crystal field, the three optical absorption bands and electron paramagnetic resonance (EPR parameters (g factors g_i and hyperfine structure constants A_i for i = || and ⊥, respectively of VO^{2+} in Na_3C_6H_5O_7·2H_2O (TSCD single crystals were studied using the perturbation theory method. By simulating the calculated optical and EPR spectra to the observed values, local structure parameters and negative signs of the hyperfine structure constants A_i of the octahedral (VO_6^{8-} cluster in TSCD single crystal can be obtained.

  6. Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7cobalt(II

    Directory of Open Access Journals (Sweden)

    Hicham El Hamdani

    2017-09-01

    Full Text Available The title complex, [Co(C7H7N4O22(H2O4], comprises mononuclear molecules consisting of a CoII ion, two deprotonated theophylline ligands (systematic name: 1,3-dimethyl-7H-purine-2,6-dione and four coordinating water molecules. The CoII atom lies on an inversion centre and has a slightly distorted octahedral coordination environment, with two N atoms of two trans-oriented theophylline ligands and the O atoms of four water molecules. An intramolecular hydrogen bond stabilizes this conformation. A three-dimensional supramolecular network structure is formed by intermolecular O—H...O and O—H...N hydrogen bonds.

  7. MPK6 controls H2 O2-induced root elongation by mediating Ca2+ influx across the plasma membrane of root cells in Arabidopsis seedlings.

    Science.gov (United States)

    Han, Shuan; Fang, Lin; Ren, Xuejian; Wang, Wenle; Jiang, Jing

    2015-01-01

    Mitogen-activated protein kinases (MPKs) play critical roles in signalling and growth, and Ca(2+) and H2 O2 control plant growth processes associated with abscisic acid (ABA). However, it remains unclear how MPKs are involved in H2 O2 - and Ca(2+) -mediated root elongation. Root elongation in seedlings of the loss-of-function mutant Atmpk6 (Arabidopsis thaliana MPK6) was less sensitive to moderate H2 O2 or ABA than that in wild-type (WT) plants. The enhanced elongation was a result of root cell expansion. This effect disappeared when ABA-induced H2 O2 accumulation or the cytosolic Ca(2+) increase were defective. Molecular and biochemical evidence showed that increased expression of the cell wall peroxidase PRX34 in Atmpk6 root cells enhanced apoplastic H2 O2 generation; this promoted a cytosolic Ca(2+) increase and Ca(2+) influx across the plasma membrane. The plasma membrane damage caused by high levels of H2 O2 was ameliorated in a Ca(2+) -dependent manner. These results suggested that there was intensified PRX34-mediated H2 O2 generation in the apoplast and increased Ca(2+) flux into the cytosol of Atmpk6 root cells; that is, the spatial separation of apoplastic H2 O2 from cytosolic Ca(2+) in root cells prevented H2 O2 -induced inhibition of root elongation in Atmpk6 seedlings. © 2014 The Authors. New Phytologist © 2014 New Phytologist Trust.

  8. DOT 3.5-E (DOT 3.5-E/JEF-1) analysis of the PCA-Replica (H2O/FE) shielding benchmark for the LWR-PV damage prediction

    International Nuclear Information System (INIS)

    Pescarini, M.

    1991-01-01

    The results of a DOT 3.5-E/JEF-1 validation on the (H2O/Fr) PCA-REPLICA (UKAEA-Winfith) low-flux shielding benchmark are presented. The PCA-REPLICA experiments reproduces the excore radial geometry of a PWR and is closely related to LWR safety since it is dedicated to test the accuracy of the calculated neutron exposure parameters (fast fluence and iron displacement rates) in a pressure vessel simulator. The NJOY/THEMIS data processing system is employed to obtain the neutron damage-energy cross sections for the JEF-1 iron file. The SN 1-D ANISN code is used to collapse cross sections from the VITAMIN-J (175 n) shielding library, based on the JEF-1 data, to a 28 group working library for 2-D calculations. A 3-D-equivalent synthesis (X,Y,Z) of 2-D and 1-D DOT 3.5-E SN calculations in a plane geometry, gives the integral and spectral results for comparison with the respective experimental data. The underprediction of the in-vessel dosimeter experimental activities depends probably on an overestimation of the iron inelastic scattering cross section of the JEF-1 file

  9. Synthesis and structure of [(NH2)2CSSC(NH2)2]2[OsBr6]Br2 . 3H2O

    International Nuclear Information System (INIS)

    Rudnitskaya, O. V.; Kultyshkina, E. K.; Stash, A. I.; Glukhova, A. A.; Venskovskii, N. U.

    2008-01-01

    The complex [(NH 2 ) 2 CSSC(NH 2 ) 2 ] 2 [OsBr 6 ]Br 2 . 3H 2 O is synthesized by the reaction of K 2 OsBr 6 with thiocarbamide in concentrated HBr and characterized using electronic absorption and IR absorption spectroscopy. Its crystal structure is determined by X-ray diffraction. The crystals are orthorhombic, a = 11.730(2) A, b = 14.052(3) A, c = 16.994(3) A, space group Cmcm, and Z = 4. The [OsBr 6 ] 2- anionic complex has an octahedral structure. The Os-Br distances fall in the range 2.483-2.490 A. The α,α'-dithiobisformamidinium cation is a product of the oxidation of thiocarbamide. The S-S and C-S distances are 2.016 and 1.784 A, respectively. The H 2 O molecules, Br - ions, and NH 2 groups of the cation are linked by hydrogen bonds.

  10. Study of the reversible water vapour sorption process of MgSO{sub 4}.7H{sub 2}O and MgCl{sub 2}.6H{sub 2}O under the conditions of seasonal solar heat storage

    Energy Technology Data Exchange (ETDEWEB)

    Ferchaud, C.J.; De Boer, R. [Eindhoven University of Technology, Department of Mechanical Engineering, Eindhoven (Netherlands); Zondag, H.A.; Veldhuis, J.B.J. [ECN Biomass and Energy Efficiency, Petten (Netherlands)

    2012-08-15

    The characterization of the structural, compositional and thermodynamic properties of MgSO{sub 4}.7H{sub 2}O and MgCl{sub 2}.6H{sub O} has been done for seasonal heat storage using in-situ X-ray Diffraction and thermal analyses (TG/DSC) under practical conditions for seasonal heat storage (T{sub max} = 150C, p(H{sub 2}O)=13 mbar). This study showed that these two materials release heat after a dehydration/hydration cycle with energy densities of 0.38 GJ/m{sup 3} for MgSO{sub 4}.7H{sub 2}O and 0.71 GJ/m{sup 3} MgCl{sub 2}.6H{sub 2}O. The low heat release found for MgSO{sub 4}.7H2O is mainly attributed to the amorphization of the material during the dehydration performed at 13 mbar which reduces its sorption capacity during the rehydration. MgCl{sub 2}.6H{sub 2}O presents a high energy density which makes this material interesting for the seasonal heat storage in domestic applications. This material would be able to fulfil the winter heat demand of a passive house estimated at 6 GJ with a packed bed reactor of 8.5 m{sup 3}. However, a seasonal heat storage system based on the water vapour sorption process in MgCl{sub 2}.6H{sub 2}O should be carefully set with a restricted temperature of 40C for the hydration reaction to avoid the liquefaction of the material at ambient temperature which limits its performances for long term storage.

  11. Modelling of phase equilibria in CH4–C2H6–C3H8–nC4H10–NaCl–H2O systems

    International Nuclear Information System (INIS)

    Li, Jun; Zhang, Zhigang; Luo, Xiaorong; Li, Xiaochun

    2015-01-01

    Highlights: • A new model was established for the phase equilibria of C1–C2–C3–nC4–brine systems. • The model can reproduce of hydrocarbon–brine equilibria to high T&P and salinity. • The model can well predict H 2 O solubility in light hydrocarbon rich phases. - Abstract: A thermodynamic model is presented for the mutual solubility of CH 4 –C 2 H 6 –C 3 H 8 –nC 4 H 10 –brine systems up to high temperature, pressure and salinity. The Peng–Robinson model is used for non-aqueous phase fugacity calculations, and the Pitzer model is used for aqueous phase activity calculations. The model can accurately reproduce the experimental solubilities of CH 4 , C 2 H 6 , C 3 H 8 and nC 4 H 10 in water or NaCl solutions and H 2 O solubility in the non-aqueous phase. The experimental data of mutual solubility for the CH 4 –brine subsystem are sufficient for temperatures exceeding 250 °C, pressures exceeding 1000 bar and NaCl molalities greater than 6 molal. Compared to the CH 4 –brine system, the mutual solubility data of C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine are not sufficient. Based on the comparison with the experimental data of H 2 O solubility in C 2 H 6 -, C 3 H 8 - or nC 4 H 10 -rich phases, the model has an excellent capability for the prediction of H 2 O solubility in hydrocarbon-rich phases, as these experimental data were not used in the modelling. Predictions of hydrocarbon solubility (at temperatures up to 200 °C, pressures up to 1000 bar and NaCl molalities greater than 6 molal) were made for the C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine systems. The predictions suggest that increasing pressure generally increases the hydrocarbon solubility in water or brine, especially in the lower-pressure region. Increasing temperature usually decreases the hydrocarbon solubility at lower temperatures but increases the hydrocarbon solubility at higher temperatures. Increasing water salinity dramatically decreases

  12. Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.

    Science.gov (United States)

    Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu

    2016-03-21

    The inner C-benzyl- and C-o-xylyl (or m-xylyl, p-xylyl)-substituted cobalt(ii) complexes of a 2-N-substituted N-confused porphyrin were synthesized from the reaction of 2-NC3H5NCTPPH (1) and CoCl2·6H2O in toluene (or o-xylene, m-xylene, p-xylene). The crystal structures of diamagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-hydrogen-21-carbaporphyrinato-N,N',N'')zinc(ii) [Zn(2-NC3H5-21-H-NCTPP)Cl; 3 ] and paramagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-benzyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-CH2C6H5NCTPP)Cl; 7], and chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-Y-xylyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-Y-CH2C6H4CH3NCTPP)Cl] [Y = o (8), m (9), p (10)] were determined. The coordination sphere around the Zn(2+) (or Co(2+)) ion in 3 (or 7-10) is a distorted tetrahedron (DT). The free energy of activation at the coalescence temperature Tc for the exchange of phenyl ortho protons o-H (26) with o-H (22) in 3 in a CDCl3 solvent is found to be ΔG = 61.4 kJ mol(-1) through (1)H NMR temperature-dependent measurements. The axial zero-field splitting parameter |D| was found to vary from 35.6 cm(-1) in 7 (or 30.7 cm(-1) in 8) to 42.0 cm(-1) in 9 and 46.9 cm(-1) in 10 through paramagnetic susceptibility measurements. The magnitude of |D| can be related to the coordination sphere at the cobalt sites.

  13. (2-Formyl-6-methoxyphenolato-κ2O1,O2(perchlorato-κO(1,10-phenanthroline-κ2N,N′copper(II

    Directory of Open Access Journals (Sweden)

    Zhi-Yong Wu

    2008-05-01

    Full Text Available In the title molecule, [Cu(C8H7O3(ClO4(C12H8N2], the CuII ion is five-coordinated by two N atoms [Cu—N = 1.995 (3 and 2.022 (3 Å] from a 1,10-phenanthroline ligand, two O atoms [Cu—O = 1.908 (2 and 1.927 (2 Å] from an o-vanillin ligand and one O atom [Cu—O = 2.510 (3 Å] from a perchlorate anion in a distorted square-pyramidal geometry. Three O atoms of the perchlorate anion are rotationally disordered between two orientations, with occupancies of 0.525 (13 and 0.475 (13. In the crystal structure, two molecules related by a centre of symmetry are paired in such a way that the phenolate O atom from one molecule completes the distorted octahedral Cu coordination in another molecule [Cu...O = 2.704 (2 Å].

  14. Incorporation of μ3-CO3 into an MnIII/MnIV Mn12 cluster: {[(cyclam)MnIV(μ-O)2MnIII(H2O)(μ-OH)]6(μ3-CO3)2}Cl8·24H2O

    Science.gov (United States)

    Levaton, Ben B.; Olmstead, Marilyn M.

    2010-01-01

    The centrosymmetric title cluster, hexa­aquadi-μ3-carbonato-hexa­cyclamhexa-μ2-hydroxido-dodeca-μ2-oxido-hexa­mang­an­ese(IV)hexa­manganese(III) octa­chloride tetra­cosa­hydrate, [Mn12(CO3)2O12(OH)6(C10H24N4)6(H2O)6]Cl8·24H2O, has two μ3-CO3 groups that not only bridge octahedrally coordinated MnIII ions but also act as acceptors to two different kinds of hydrogen bonds. The carbonate anion is planar within experimental error and has an average C—O distance of 1.294 (4) Å. The crystal packing is stabilized by O—H⋯Cl, O—H⋯O, N—H⋯Cl and N—H⋯O hydrogen bonds. Two of the four independent chloride ions are disordered over five positions, and eight of the 12 independent water mol­ecules are disordered over 21 positions. PMID:21587382

  15. Syntheses of [5-2H]-uracil, [5-2H]-cytosine, [6-2H]-uracil and [6-2H]-cytosine

    International Nuclear Information System (INIS)

    Kiritani, Reiko; Asano, Takeyoshi; Fujita, Shin-ichi; Dohmaru, Takaaki; Kawanishi, Tetsuro

    1986-01-01

    Syntheses of [5- 2 H]-, [6- 2 H]-uracil and [5- 2 H]-, [6- 2 H]-cytosine were investigated. The catalytic reaction of uracil or cytosine with 2 H 2 gas in alkaline media gave rise to [6- 2 H]-compounds almost exclusively. On the other hand, the reaction of 5-bromouracil or 5-bromocytosine with 2 H 2 gas gave rise to a mixture of [5- 2 H]-, [6- 2 H]- and [5- 2 H, 6- 2 H]-compounds depending on the experimental conditions. By controlling the temperature, the pressure of 2 H 2 gas and the amount of catalyst, [5- 2 H]-uracil and [5- 2 H]-cytosine were obtained. The isotopic distribution in each product was measured by 1 H NMR spectroscopy combined with an HPLC method. (author)

  16. Combination of short-length TiO{sub 2} nanorod arrays and compact PbS quantum-dot thin films for efficient solid-state quantum-dot-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zhengguo [School of Chemistry and Chemical Engineering, Hefei University of Technology, Hefei 230009 (China); School of Chemistry and Chemical Engineering, Beifang University of Nationalities, Yinchuan 750021 (China); Shi, Chengwu, E-mail: shicw506@foxmail.com [School of Chemistry and Chemical Engineering, Hefei University of Technology, Hefei 230009 (China); Chen, Junjun; Xiao, Guannan; Li, Long [School of Chemistry and Chemical Engineering, Hefei University of Technology, Hefei 230009 (China)

    2017-07-15

    Graphical abstract: The TiO{sub 2} nanorod array with the length of 600 nm, the diameter of 20 nm, the areal density of 500 μm{sup −2} was successfully prepared. The compact PbS quantum-dot thin film was firstly obtained on the TiO{sub 2} nanorod array by spin-coating-assisted successive ionic layer absorption and reaction with using 1,2-ethanedithiol. The photoelectric conversion efficiency (PCE) of the compact PbS quantum-dot thin film sensitized solar cells achieved 4.10% using spiro-OMeTAD as a hole transporting layer, while the PCE of the PbS quantum-dot sensitized solar cells was only 0.54%. - Highlights: • Preparation of TiO{sub 2} nanorod arrays with the length of 600 nm, diameter of 20 nm. • The compact PbS QD thin film and short-length TiO{sub 2} nanorod array were combined. • EDT addition improved PbS nanoparticle coverage and photovoltaic performance. • The compact PbS QD thin film sensitized solar cell achieved the PCE of 4.10%. - Abstract: Considering the balance of the hole diffusion length and the loading quantity of quantum-dots, the rutile TiO{sub 2} nanorod array with the length of 600 nm, the diameter of 20 nm, and the areal density of 500 μm{sup −2} is successfully prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 105 min. The compact PbS quantum-dot thin film on the TiO{sub 2} nanorod array is firstly obtained by the spin-coating-assisted successive ionic layer absorption and reaction with using 1,2-ethanedithiol (EDT). The result reveals that the strong interaction between lead and EDT is very important to control the crystallite size of PbS quantum-dots and obtain the compact PbS quantum-dot thin film on the TiO{sub 2} nanorod array. The all solid-state sensitized solar cell with the combination of the short-length, high-density TiO{sub 2} nanorod array and the compact PbS quantum-dot thin film achieves the photoelectric conversion

  17. Room-temperature synthesis of MnMoO{sub 4}{center_dot}H{sub 2}O nanorods by the microemulsion-based method and its photocatalytic performance

    Energy Technology Data Exchange (ETDEWEB)

    Mi Yan; Huang Zaiyin; Zhou Zeguang; Hu Feilong; Meng Qiufeng [College of Chemistry and Ecological Engineering, Guangxi University for Nationalities, Nanning 530006 (China)], E-mail: hzy210@yahoo.cn

    2009-09-01

    Manganese molybdate hydrates (MnMoO{sub 4}{center_dot}H{sub 2}O) nanorods have been synthesized at room temperature by a facile water-in-oil reverse microemulsion method. This technique was carried out in the reverse microemulsion of OP-10 (Polyoxyethylene octylphenol ether)-n-octanol-water-cyclohexane with a water/surfactant molar ratio {omega} = 10. Field-emission scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images showed that the diameters of these formed nanorods about 70 nm and lengthe up to 4 {mu}m, respectively. High-resolution transmission electron microscopy (HRTEM) results showed that each nanorod was formed by serveral nanobelts which are stacked by a layer-by-layer process. These unique nanorods demonstrate good photocatalytic properties.

  18. Cesium and strontium incorporation into uranophane, Ca[(UO{sub 2})(SiO{sub 3}OH)]{sub 2}{center_dot}5H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Douglas, Matthew; Clark, Sue B. [Washington State Univ., Chemistry Dept. and Center for Multiphase Environmental Research, WA (United States); Utsunomiya, Satoshi; Ewing, Rodney C. [University of Michigan, Nuclear Engineering and Radiological Sciences Dept., Ann Arbor, MI (United States)

    2002-11-01

    The uranyl silicate solid uranophane, Ca[(UO{sub 2})(SiO{sub 3}OH)]{sub 2}{center_dot}5H{sub 2}O, is likely an important secondary solid that forms in the alteration of spent nuclear fuel. This 1:1 U(VI)-silicate structure may serve as a host for the incorporation of fission products such as {sup 137}Cs or {sup 90}Sr by substitution of Ca{sup 2+} in interlayer spaces in the solid. We have investigated this possibility by synthesizing 1:1 U(VI)-silicate solids where the Ca{sup 2+} is completely or partially replaced by either Sr{sup 2+} or Cs{sup +}. The solids obtained have been characterized by x-ray powder diffraction (XRD), scanning electron microscopy (SEM), and elemental analysis. We observe that the Sr{sup 2+} analog of uranophane yields a diffractogram that resembles the XRD pattern obtained for synthetic uranophane, although the morphology of the solid is different from uranophane. Conversely, substitution of Cs{sup +} for Ca{sup 2+} in the synthesis of the 1:1 uranyl-silicate solid yields a very different diffractogram but solid phase morphology similar to uranophane. When Ca{sup 2+} is partially replaced in the synthesis, the diffractograms appear to be similar to uranophane for both the Sr{sup 2+} an Cs{sup +} systems, but SEM indicates that a mixture of solid phases are formed. We describe and summarize our results, and propose additional studies to address the question of whether these cations are incorporated into the uranophane solid. (author)

  19. Hydrogen constituents of the mesosphere inferred from positive ions - H2O, CH4, H2CO, H2O2, and HCN

    Science.gov (United States)

    Kopp, E.

    1990-01-01

    The concentrations in the mesosphere of H2O, CH4, H2CO, H2O2, and HCN were inferred from data on positive ion compositions, obtained from one mid-latitude and four high-latitude rocket flights. The inferred concentrations were found to agree only partially with the ground-based microwave measurements and/or model prediction by Garcia and Solomon (1985). The CH4 concentration was found to vary between 70 and 4 ppb in daytime and 900 and 100 ppbv at night, respectively. Unexpectedly high H2CO concentrations were obtained, with H2CO/H2O ratios between 0.0006 and 0.1, and a mean HCN volume mixing ratio of 6 x 10 to the -10th was inferred.

  20. Assembly of CdS Quantum Dots onto Hierarchical TiO2 Structure for Quantum Dots Sensitized Solar Cell Applications

    Directory of Open Access Journals (Sweden)

    Syed Mansoor Ali

    2015-05-01

    Full Text Available Quantum dot (QD sensitized solar cells based on Hierarchical TiO2 structure (HTS consisting of spherical nano-urchins on transparent conductive fluorine doped tin oxide glass substrate is fabricated. The hierarchical TiO2 structure consisting of spherical nano-urchins on transparent conductive fluorine doped tin oxide glass substrate synthesized by hydrothermal route. The CdS quantum dots were grown by the successive ionic layer adsorption and reaction deposition method. The quantum dot sensitized solar cell based on the hierarchical TiO2 structure shows a current density JSC = 1.44 mA, VOC = 0.46 V, FF = 0.42 and η = 0.27%. The QD provide a high surface area and nano-urchins offer a highway for fast charge collection and multiple scattering centers within the photoelectrode.

  1. Vibrations and reorientations of H2O molecules in [Sr(H2O)6]Cl2 studied by Raman light scattering, incoherent inelastic neutron scattering and proton magnetic resonance.

    Science.gov (United States)

    Hetmańczyk, Joanna; Hetmańczyk, Lukasz; Migdał-Mikuli, Anna; Mikuli, Edward; Florek-Wojciechowska, Małgorzata; Harańczyk, Hubert

    2014-04-24

    Vibrational-reorientational dynamics of H2O ligands in the high- and low-temperature phases of [Sr(H2O)6]Cl2 was investigated by Raman Spectroscopy (RS), proton magnetic resonance ((1)H NMR), quasielastic and inelastic incoherent Neutron Scattering (QENS and IINS) methods. Neutron powder diffraction (NPD) measurements, performed simultaneously with QENS, did not indicated a change of the crystal structure at the phase transition (detected earlier by differential scanning calorimetry (DSC) at TC(h)=252.9 K (on heating) and at TC(c)=226.5K (on cooling)). Temperature dependence of the full-width at half-maximum (FWHM) of νs(OH) band at ca. 3248 cm(-1) in the RS spectra indicated small discontinuity in the vicinity of phase transition temperature, what suggests that the observed phase transition may be associated with a change of the H2O reorientational dynamics. However, an activation energy value (Ea) for the reorientational motions of H2O ligands in both phases is nearly the same and equals to ca. 8 kJ mol(-1). The QENS peaks, registered for low temperature phase do not show any broadening. However, in the high temperature phase a small QENS broadening is clearly visible, what implies that the reorientational dynamics of H2O ligands undergoes a change at the phase transition. (1)H NMR line is a superposition of two powder Pake doublets, differentiated by a dipolar broadening, suggesting that there are two types of the water molecules in the crystal lattice of [Sr(H2O)6]Cl2 which are structurally not equivalent average distances between the interacting protons are: 1.39 and 1.18 Å. However, their reorientational dynamics is very similar (τc=3.3⋅10(-10) s). Activation energies for the reorientational motion of these both kinds of H2O ligands have nearly the same values in an experimental error limit: and equal to ca. 40 kJ mole(-1). The phase transition is not seen in the (1)H NMR spectra temperature dependencies. Infrared (IR), Raman (RS) and inelastic

  2. Development of 9Al2O3{center_dot}2B2O3 whiskers reinforced piston by squeeze casting. Manufacturing process and characteristics of whiskers preform; Squeeze cast ho ni yoru 9Al2O3{center_dot}2B2O3 whisker kyoka piston no kaihatsu

    Energy Technology Data Exchange (ETDEWEB)

    Yamauchi, T; Suzuki, M; Takahashi, M; Takada, I; Toda, M [Suzuki Motor Co. Ltd., Shizuoka (Japan)

    1997-10-01

    The properties of 9Al2O3 {center_dot} 2B2O3 whisker reinforced aluminum alloy is excellent compared with conventional material at elevated temperatures. 9Al2O3 {center_dot} 2B2O3 whisker reinforced aluminum alloy was applied to the piston head of two cycle engines. This piston was produced by a squeeze casting process with the granulated whiskers preform which was infiltrated by a molten aluminum alloy under high pressure. Since the permeability of the granulated whiskers preform is larger than that of the uniform preform in which whiskers are distributed randomly and uniformly, it became possible to suppress the preform deformation using the developed preform. 7 refs., 8 figs., 2 tabs.

  3. Size-controlled synthesis of SnO2 quantum dots and their gas-sensing performance

    International Nuclear Information System (INIS)

    Du, Jianping; Zhao, Ruihua; Xie, Yajuan; Li, Jinping

    2015-01-01

    Graphical abstract: The gas-sensing property of quantum dots is related to their sizes. SnO 2 quantum dots (TQDs) were synthesized and the sizes were controlled by a simple strategy. The results show that controlling QDs size is efficient to detect low-concentration hazardous volatile compounds selectively. - Highlights: • SnO 2 quantum dots with controllable size were synthesized by hydrothermal route. • The sizes of SnO 2 quantum dots (TQDs) were controlled by a simple strategy. • The responses to volatile chemicals strongly depend on the size of quantum dots. • Small-size TQDs exhibit a good selectivity and response to triethylamine. • Controlling size is efficient to detect low-concentration toxic gases selectively. - Abstract: Tin dioxide quantum dots (TQDs) with controllable size were synthesized by changing the amount of alkaline reagent in the hydrothermal process. The gas-sensing properties were investigated by operating chemoresistor type sensor. The morphology and structure were characterized by X-ray diffraction, scanning/transmission electron microscopy, UV–vis and Raman spectrometry. The as-synthesized SnO 2 shows the characteristics of quantum dots and the narrowest size distribution is about 2–3 nm. The gas-sensing results indicate that the responses are strongly dependent on the size of quantum dots. TQDs with different sizes exhibit different sensitivities and selectivities to volatile toxic chemicals such as aldehyde, acetone, methanol, ethanol and amine. Especially, when the sensors are exposed to 100 ppm triethylamine (TEA), the sensing response value of TQDs with small size is two times higher than that of the large-size TQDs. The maximum response values of TQDs to 1 ppm and 100 ppm TEA are 15 and 153, respectively. The response time is 1 s and the recovery time is 47 s upon exposure to 1 ppm TEA. The results suggest that it is an effective method by regulating the size of SnO 2 quantum dots to detect low-concentration hazardous

  4. Etching and anti-etching strategy for sensitive colorimetric sensing of H2O2 and biothiols based on silver/carbon nanomaterial.

    Science.gov (United States)

    Hou, Wenli; Liu, Xiaoying; Lu, Qiujun; Liu, Meiling; Zhang, Youyu; Yao, Shouzhuo

    2018-02-01

    In this paper, the colorimetric sensing of H 2 O 2 related molecules and biothiols based on etching and anti-etching strategy was firstly proposed. Ag/carbon nanocomposite (Ag/C NC) was served as the sensing nanoprobe, which was synthesized via carbon dots (C-dots) as the reductant and stabilizer. The characteristic surface plasmon resonance (SPR) absorbance of Ag nanoparticles (AgNPs) was sensitive to the amount of hydrogen peroxide (H 2 O 2 ). It exhibited strong optical responses to H 2 O 2 with the solution colour changing from yellow to nearly colourless, which is resulted from the etching of Ag by H 2 O 2 . The sensing platform was further extended to detect H 2 O 2 related molecules such as lactate in coupling with the specific catalysis oxidation of L-lactate by lactate oxidase (LOx) and formation of H 2 O 2 . It provides wide linear range for detecting H 2 O 2 in 0.1-80μM and 80-220μM with the detection limit as low as 0.03μM (S/N=3). In the presence of biothiols, the etching from the H 2 O 2 can be hampered. Other biothiols exhibit anti-etching effects well. The strategy works well in detecting of typical biothiols including cysteine (Cys), homocysteine (Hcy) and glutathione (GSH). Thus, a simple colorimetric strategy for sensitive detection of H 2 O 2 and biothiols is proposed. It is believed that the colorimetric sensor based on etching and anti-etching strategy can be applied in other systems in chemical and biosensing areas. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Kinetic removal of haloacetonitrile precursors by photo-based advanced oxidation processes (UV/H2O2, UV/O3, and UV/H2O2/O3).

    Science.gov (United States)

    Srithep, Sirinthip; Phattarapattamawong, Songkeart

    2017-06-01

    The objective of the study is to evaluate the performance of conventional treatment process (i.e., coagulation, flocculation, sedimentation and sand filtration) on the removals of haloacetonitrile (HAN) precursors. In addition, the removals of HAN precursors by photo-based advanced oxidation processes (Photo-AOPs) (i.e., UV/H 2 O 2 , UV/O 3 , and UV/H 2 O 2 /O 3 ) are investigated. The conventional treatment process was ineffective to remove HAN precursors. Among Photo-AOPs, the UV/H 2 O 2 /O 3 was the most effective process for removing HAN precursors, followed by UV/H 2 O 2 , and UV/O 3 , respectively. For 20min contact time, the UV/H 2 O 2 /O 3 , UV/H 2 O 2 , and UV/O 3 suppressed the HAN formations by 54, 42, and 27% reduction. Increasing ozone doses from 1 to 5 mgL -1 in UV/O 3 systems slightly improved the removals of HAN precursors. Changes in pH (6-8) were unaffected most of processes (i.e., UV, UV/H 2 O 2 , and UV/H 2 O 2 /O 3 ), except for the UV/O 3 system that its efficiency was low in the weak acid condition. The pseudo first-order kinetic constant for removals of dichloroacetonitrile precursors (k' DCANFP ) by the UV/H 2 O 2 /O 3 , UV/H 2 O 2 and standalone UV systems were 1.4-2.8 orders magnitude higher than the UV/O 3 process. The kinetic degradation of dissolved organic nitrogen (DON) tended to be higher than the k' DCANFP value. This study firstly differentiates the kinetic degradation between DON and HAN precursors. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. F-centre luminescence in nanocrystalline CeO2

    International Nuclear Information System (INIS)

    Aškrabić, S; Dohčević-Mitrović, Z D; Araújo, V D; Ionita, G; De Lima, M M Jr; Cantarero, A

    2013-01-01

    Nanocrystalline CeO 2 powders were synthesized by two cost-effective methods: the self-propagating room temperature (SPRT) method and the precipitation method. Differently prepared samples exhibited different temperature-dependent photoluminescence (PL) in the ultraviolet and visible regions. The PL signals originated from different kinds of oxygen-deficient defect centres with or without trapped electrons (F 0 , F + or F ++ centres). The temperature-dependent PL spectra were measured using different excitation lines, below (457, 488 and 514 nm) or comparable (325 nm) to the ceria optical band gap energy, in order to investigate the positions of intragap localized defect states. Evidence for the presence of F + centres was supported by the signals observed in electron paramagnetic resonance (EPR) measurements. Based on PL and EPR measurements it was shown that F + centres dominate in the CeO 2 sample synthesized by the SPRT method, whereas F 0 centres are the major defects in the CeO 2 sample synthesized by the precipitation method. The luminescence from F ++ states, as shallow trap states, was registered in both samples. Energy level positions of these defect states in the ceria band gap were proposed. (paper)

  7. F-centre luminescence in nanocrystalline CeO2

    Science.gov (United States)

    Aškrabić, S.; Dohčević-Mitrović, Z. D.; Araújo, V. D.; Ionita, G.; de Lima, M. M., Jr.; Cantarero, A.

    2013-12-01

    Nanocrystalline CeO2 powders were synthesized by two cost-effective methods: the self-propagating room temperature (SPRT) method and the precipitation method. Differently prepared samples exhibited different temperature-dependent photoluminescence (PL) in the ultraviolet and visible regions. The PL signals originated from different kinds of oxygen-deficient defect centres with or without trapped electrons (F0, F+ or F++ centres). The temperature-dependent PL spectra were measured using different excitation lines, below (457, 488 and 514 nm) or comparable (325 nm) to the ceria optical band gap energy, in order to investigate the positions of intragap localized defect states. Evidence for the presence of F+ centres was supported by the signals observed in electron paramagnetic resonance (EPR) measurements. Based on PL and EPR measurements it was shown that F+ centres dominate in the CeO2 sample synthesized by the SPRT method, whereas F0 centres are the major defects in the CeO2 sample synthesized by the precipitation method. The luminescence from F++ states, as shallow trap states, was registered in both samples. Energy level positions of these defect states in the ceria band gap were proposed.

  8. Aquachlorido{6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilodimethylidyne]diphenolato-κ2O1,N,N′,O1′}cobalt(III monohydrate

    Directory of Open Access Journals (Sweden)

    Jianxin Xing

    2009-04-01

    Full Text Available The title compound, [Co(C18H18N2O4Cl(H2O]·H2O, contains a distorted octahedral cobalt(III complex with a 6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilodimethylidyne]diphenolate ligand, a chloride and an aqua ligand, and also a disordered water solvent molecule (half-occupancy. The CoIII ion is coordinated in an N2O3Cl manner. Weak O—H...O hydrogen bonds may help to stabilize the crystal packing.

  9. Synthesis of Some O-Substituted Derivatives of Natural 6-hydroxymethyl-4-methoxy-2H-pyran-2-one (opuntiol)

    International Nuclear Information System (INIS)

    Shahzadi, T.; Akhtar, M.; Rehman, A.; Riaz, T.; Ashraf, M.

    2013-01-01

    This manuscript reports the synthesis of a series of new O-substituted derivatives of opuntiol (1) which is a naturally occurring compound isolated from a plant Opuntia dillenii Haw belonging to family Cactaceae. These derivatives 3a-t, were characterized by FAB-MS, IR, and 1H-NMR and then screened against acetylcholinesterase, butyrylcholinesterase, lipoxygenase and H-chymotrypsin enzymes. The screening results revealed that 6-(acetyloxy) methyl- 4-methoxy-2H-pyran-2-one (3b) and N-(2,5-dimethylphenyl)-2-((4-methoxy-6-oxo-2H-pyran-2-yl) methoxy)acetamide (3p) were found to be the inhibitor of butyrylcholinesterase while 6-(acetyloxy) methyl- 4-methoxy-2H-pyran-2-one (3b), 6-(ethoxymethyl)-4-methoxy-2H-pyran-2-one (3c), 4-methoxy-6-((phenylmethoxy)methyl)-2H-pyran-2-one (3g), 6-((2-bromoethyloxy)methyl)-4-methoxy-2H-pyran-2-one (3j), N-(5-chloro-2-ethoxyphenyl)-2-((4-methoxy-6-oxo-2H-pyran-2-yl)methoxy) acetamide (3r), N-(3,4-dimethylphenyl)-2-((4-methoxy-6-oxo-2H-pyran-2-yl)methoxy)acetamide (3s) N-(3,5-dimethylphenyl)-2-((4-methoxy-6-oxo-2H-pyran-2-yl)methoxy)acetamide (3t) were found to be active against H-chymotrypsin and among these 3s was the good inhibitor of this enzyme having IC50 value of 142.71 +- 0.22 micro moles/L. (author)

  10. Crystal structure of strontium osmate (8) Sr[OsO5(H2O)]x3H2O

    International Nuclear Information System (INIS)

    Nevskij, N.N; Ivanov-Ehmin, B.N.; Nevskaya, N.A.; Belov, N.V.; AN SSSR, Moscow. Inst. Kristallografii)

    1982-01-01

    Crystal structure of the Sr[OsO 5 (H 2 O)]x3H 2 O complex is studied. Rhombic P-cell has the parameters: a=6.426(1), b=7.888(1), c=14.377(5) A, Vsub(c)=729 A 3 . The R-factor equals 0.034. The coordinates of the basis atoms and isotropic temperature corrections, as well as basic interatomic distances, are determined

  11. Nano crystalline ZnO catalyzed one pot three-component synthesis of 7-alkyl-6H,7H- naphtho[1',2':5,6]pyrano[3,2-c] chromen-6-ones under solvent-free conditions

    Directory of Open Access Journals (Sweden)

    M. J. Piltan

    2016-08-01

    Full Text Available In the present paper, an efficient one-pot synthesis of 7-alkyl-6H,7H-naphtho[1',2':5,6]pyrano[3,2-c]chromen-6-ones is described by three-component reaction of β-naphthol, aromatic aldehydes and 4-hydroxycoumarin using ZnO nanoparticles under solvent-free conditions. The present method provides a novel and efficient procedure for the synthesis of chromene derivatives with some advantageous such as short reaction times, easy workup, high yields, wide range of products, reusability of the catalyst, little catalyst loading and green conditions in the presence of ZnO nanoparticles (7 mol% at 110 ºC.

  12. Complexation in the system K2SeO4-UO2SeO4-H2O

    International Nuclear Information System (INIS)

    Serezhkina, L.B.; Kuchumova, N.V.; Serezhkin, V.N.

    1994-01-01

    Complexation in the system K 2 SeO 4 -UO 2 SeO 4 -H 2 O at 25 degrees C is studied by isothermal solubility. Congruently soluble K 2 UO 2 (SeO 4 ) 2 ·4H 2 O (I) and incongruently soluble K 2 (UO 2 ) 2 (SeO 4 ) 3 ·6H 2 O (II) are observed. The unit-cell constants of I and II are determined from an X-ray diffraction investigation. For I, a = 12,969, b = 11.588, c = 8.533 angstrom, Z = 4, space group Pmmb. For II, a = 23.36, b = 6.784, c = 13.699 angstrom, β = 104.42 degrees, Z = 4, space group P2/m, P2, or Pm. Complexes I and II are representatives of the crystal-chemical groups AB 2 2 M 1 and A 2 T 3 3 M 1 , respectively, of uranyl complexes

  13. Quasi-zero-dimensional cobalt-doped CeO2 dots on Pd catalysts for alcohol electro-oxidation with enhanced poisoning-tolerance.

    Science.gov (United States)

    Tan, Qiang; Zhu, Haiyan; Guo, Shengwu; Chen, Yuanzhen; Jiang, Tao; Shu, Chengyong; Chong, Shaokun; Hultman, Benjamin; Liu, Yongning; Wu, Gang

    2017-08-31

    Deactivation of an anode catalyst resulting from the poisoning of CO ad -like intermediates is one of the major problems for methanol and ethanol electro-oxidation reactions (MOR & EOR), and remains a grand challenge towards achieving high performance for direct alcohol fuel cells (DAFCs). Herein, we report a new approach for the preparation of ultrafine cobalt-doped CeO 2 dots (Co-CeO 2 , d = 3.6 nm), which can be an effective anti-poisoning promoter for Pd catalysts towards MOR and EOR in alkaline media. Compared to Pd/CeO 2 and pure Pd, the hybrid Pd/Co-CeO 2 nanocomposite catalyst exhibited a much enhanced activity and remarkable anti-poisoning ability for both MOR and EOR. The nanocomposite catalyst showed much higher mass activity (4×) than a state-of-the-art PtRu catalyst. The promotional mechanism was elucidated using extensive characterization and density-functional theory (DFT). A bifunctional effect of the Co-CeO 2 dots was discovered to be due to (i) an enhanced electronic interaction between Co-CeO 2 and Pd dots and (ii) the increased oxygen storage capacity of Co-CeO 2 dots to facilitate the oxidation of CO ad . Therefore, the Pd/Co-CeO 2 nanocomposite appears to be a promising catalyst for advanced DAFCs with low cost and high performance.

  14. White LED based on CaAl2Si2O8:Eu2+ Mn2+ phosphor and CdS/ZnS quantum dots

    Science.gov (United States)

    Shen, Changyu; Zhong, Chuan; Hou, Qianglong; Li, Ke

    2011-02-01

    Core/shell CdS/ZnS quantum dots (QDs) with the emission wavelength of 610nm, was synthesized by thermal deposition using cadmium oxide and selenium as precursors in a hot lauric acid and hexadecylamine trioctylphosphine oxide hybrid. CaAl2Si2O8:Eu2+ Mn2+ phosphor was synthesized by high-temperature solid state reaction at 1290 °C for 2 hours under the H2 reducing atmosphere, and X-ray powder diffraction analysis confirmed the formation of it. It has two emission bands peaking at 420 nm and 580nm originated from the transition 5d to 4f of Eu2+ and 4T1-6A1 of Mn2+, respectively. Blends of CaAl2Si2O8:Eu2+,Mn2+ phosphor and CdS/ZnS QDs exhibited the prominent spectral evolution with an increasing content of QDs. A hybrid white LED, which combines a blue LED with the blend of CaAl2Si2O8:Eu2+ Mn2+ phosphor and QDs with a weight ratio of 2:1, with the CIE coordinate of (0.3183, 0.3036) and CRI of 85 was obtained.

  15. Synthesis, characterization, electrochemical investigation and antioxidant activities of a new hybrid cyclohexaphosphate: Cu1.5Li(C2H10N2)P6O18·7H2O

    Science.gov (United States)

    Sleymi, Samira; Lahbib, Karima; Rahmouni, Nihed; Rzaigui, Mohamed; Besbes-Hentati, Salma; Abid, Sonia

    2017-09-01

    A new organic-inorganic hybrid transition metal phosphate, Cu1.5Li(C2H10N2)P6O18·7H2O, has been prepared and characterized by X-ray diffraction, spectroscopy (infrared, Raman, diffuse reflectance and UV-Vis) and thermal analysis (TG). In addition, its electrochemical behaviors, as well as its antioxidant and antibacterial activities, have been investigated. Its structure is built up by the alternate linkages between copper and phosphate polyhedra, forming puckered layers with intersecting 12-membered rings, in which the ethylenediammonium cations reside. This compound is the first framework structure constructed from cyclohexaphosphates and three distinct copper cations. Cyclic voltammetry study in an acetonitrile solution reveals the facile anodic oxidation of its organic part on a platinum disk and a progressive growing of a thin film, though the repetitive cycling of potential. The title compound was tested for its in vitro antioxidant activities by 1,1-diphenyl-2-picrylhydrazyl (DPPH), 2,2‧-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), Ferrous chelating ability (FIC) and Ferric Reducing Power (FRP) methods. The antioxidant activity of Cu1.5Li(C2H10N2)P6O18·7H2O was analyzed simultaneously with its antibacterial capacity against Escherichia coli, Salmonella typhimurium, Staphylococus aureus, Enterococcus feacium, Streptococcus agalactiae and Candida albicans. The tested compound showed significant antioxidant activities with low antibacterial properties.

  16. Hilarionite, Fe{2/3+}(SO4)(AsO4)(OH) · 6H2O, a new supergene mineral from Lavrion, Greece

    Science.gov (United States)

    Pekov, I. V.; Chukanov, N. V.; Yapaskurt, V. O.; Rusakov, V. S.; Belakovsky, D. I.; Turchkova, A. G.; Voudouris, P.; Magganas, A.; Katerinopoulos, A.

    2014-12-01

    A new mineral, hilarionite, ideally Fe{2/3+} (SO4)(AsO4)(OH) · 6H2O, has been found in the Hilarion Mine, Agios Konstantinos, Kamariza, Lavrion district, Attiki Prefecture, Greece. It was formed in the oxidation zone of a sulfide-rich orebody in association with goethite, gypsum, bukovskyite, jarosite, melanterite, chalcanthite, allophane, and azurite. Hilarionite occurs as light green (typically with an olive or grayish tint) to light yellowish green spherulites (up to 1 mm in size) and bunches of prismatic to acicular "individuals" up to 0.5 mm long that are in fact near-parallel or divergent aggregates of very thin, curved fibers up to 0.3 mm long and usually lesser than 2 μm thick. The luster is silky to vitreous. The Mohs' hardness is ca. 2. Hilarionite is ductile, its "individuals" are flexible and inelastic; fracture is uneven or splintery. D(meas) = 2.40(5), D(calc) = 2.486 g/cm3. IR spectrum shows the presence of arsenate and sulfate groups and H2O molecules in significant amounts. The Mössbauer spectrum indicates the presence of Fe3+ at two six-fold coordinated sites and the absence of Fe2+. Hilarionite is optically biaxial (+), α = 1.575(2), γ = 1.64(2), 2 V is large. The chemical composition (electron microprobe, average of 7 point analyses; H2O determined by modified Penfield method) is as follows, wt %: 0.03 MnO, 0.18 CuO, 0.17 ZnO, 33.83 Fe2O3, 0.22 P2O5, 18.92 As2O5, 22.19 SO3, 26.3 H2O, total is 101.82%. The empirical formula calculated on the basis of 15 O is: (Fe{1.90/3+}Cu0.01Zn0.01)Σ1.92[(SO4)1.24(AsO4)0.74(PO4)0.01]Σ1.99(OH)1.01 · 6.03H2O. The X-ray powder diffraction data show close structural relationship of hilarionite and kaňkite, Fe{2/3+}(AsO4)2 · 7H2O. Hilarionite is monoclinic, space group C2/ m, Cm or C2, a = 18.53(4), b = 17.43(3), c = 7.56(1) Å, β = 94.06(15)°, V = 2436(3) Å3, Z = 8. The strongest reflections in the X-ray powder diffraction pattern ( d, Å- I[ hkl]) are: 12.66-100[110], , 5.00-10[22l], , 4

  17. Thermogravimetric investigations on A(H2O)6BX6 complexes and the formation of ABX6 and ABO3 structures

    NARCIS (Netherlands)

    Heilbron, M.A.; Gellings, P.J.

    1976-01-01

    Thermogravimetry (TG) of A(H2O)6BX6 complexes are presented, with A = Cd2+, Co2+, Cu2+, Fe2+, Mg2+, Mn2+, Ni2+, Pb2+, Zn2+, B=Si4+, Sn4+, Ti4+, Zr4+, and X=Cl−, F−. On a selected number of complexes, differential thermal analyses (DTA) and differential scanning calorimetric measurements (DSC) have

  18. Diaqua{6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethylidyne]diphenolato-κ2O,N,N′,O′}manganese(III perchlorate 18-crown-6 hemisolvate monohydrate

    Directory of Open Access Journals (Sweden)

    Ming-Ming Yu

    2009-02-01

    Full Text Available In the cation of the title compound, [Mn(C18H18N2O4(H2O2]ClO4·0.5C12H24O6·H2O, the MnIII ion is coordinated by two water O atoms, and two O atoms and two N atoms from the tetradentate 6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethylidyne]diphenolate ligand, completing a distorted octahedral geometry. One O atom of the 18-crown-6-ether is disordered over two positions with occupancies of 0.70 (2 and 0.30 (2.

  19. Crystal structure, quantum mechanical investigation, IR and NMR spectroscopy of two new organic perchlorates: (C6H18N3)·(ClO4)3H2O (I) and (C9H11N2)·ClO4(II)

    Science.gov (United States)

    Bayar, I.; Khedhiri, L.; Soudani, S.; Lefebvre, F.; Ferretti, V.; Ben Nasr, C.

    2018-06-01

    The reaction of perchloric acid with 1-(2-aminoethyl)piperazine or 5,6-dimethyl-benzimidazole results in the formation of 1-(2-amonioethyl)piperazine-1,4-dium triperchlorate hydrate (C6H18N3)·(ClO4)3·H2O (I) or 5,6-dimethyl-benzylimidazolium perchlorate (C9H11N2)·ClO4(II). Both compounds were fully structurally characterized including single crystal X-ray diffraction analysis. Compound (I) crystallizes in the centrosymmetric triclinic space group P 1 bar with the lattice parameters a = 7.455 (2), b = 10.462 (2), c = 10.824 (2) Å, α = 80.832 (2), β = 88.243 (2), γ = 88.160 (2) °, Z = 2 and V = 832.77 (3) Å3. Compound (II) has been found to belong to the P21/c space group of the monoclinic system, with a = 7.590 (3), b = 9.266 (3), c = 16.503 (6) Å, β = 107.38 (2) °, V = 1107.69 (7) Å3 and Z = 4. The structures of (I) and (II) consist of slightly distorted [ClO4]- tetrahedra anions and 1-(2-amonioethyl)piperazine-1,4-dium trication (I) or 5,6-dimethyl-benzylimidazolium cations (II) and additionally a lattice water in (I). The crystal structures of (I) and (II) exhibit complex three-dimensional networks of H-bonds connecting all their components. In the atomic arrangement of (I), the ClO4- anions form corrugated chains, while in (II) the atomic arrangement exhibits wide pseudo-hexagonal channels of ClO4 tetrahedra including the organic entities. The lattice water serves as a link between pairs of cations and pairs of anions via several Osbnd H⋯O and N-H⋯O interactions in compound (I). The vibrational absorption bands were identified by infrared spectroscopy. These compounds were also investigated by solid-state 13C, 35Cl and 15N NMR spectroscopy. DFT calculations allowed the attribution of the IR and NMR bands. Intermolecular interactions were investigated by Hirshfeld surfaces. Electronic properties such as HOMO and LUMO energies were derived.

  20. Quantum Dot Sensitized Solar Cells Based on TiO2/AgInS2

    Science.gov (United States)

    Pawar, Sachin A.; Jeong, Jae Pil; Patil, Dipali S.; More, Vivek M.; Lee, Rochelle S.; Shin, Jae Cheol; Choi, Won Jun

    2018-05-01

    Quantum dot heterojunctions with type-II band alignment can efficiently separate photogenerated electron-hole pairs and, hence, are useful for solar cell studies. In this study, a quantum dot sensitized solar cell (QDSSC) made of TiO2/AgInS2 is achieved to boost the photoconversion efficiency for the TiO2-based system by varying the AgInS2 layer's thickness. The TiO2 nanorods array film is prepared by using a simple hydrothermal technique. The formation of a AgInS2 QD-sensitized TiO2-nanorod photoelectrode is carried out by successive ionic layer adsorption and reaction (SILAR) technique. The effect of the QD layer on the performance of the solar cell is studied by varying the SILAR cycles of the QD coating. The synthesized electrode materials are characterized by using X-ray diffraction, X-ray photoelectron spectroscopy, field emission scanning electron microscopy, high resolution transmission electron microscopy and solar cell performances. The results indicate that the nanocrystals have effectively covered the outer surfaces of the TiO2 nanorods. The interfacial structure of quantum dots (QDs)/TiO2 is also investigated, and the growth interface is verified. A careful comparison between TiO2/AgInS2 sensitized cells reveals that the trasfer of electrons and hole proceeds efficiently, the recombination is suppressed for the optimum thickness of the QD layer and light from the entire visible spectrum is utilised. Under AM 1.5G illumination, a high photocurrent of 1.36 mAcm-2 with an improved power conversion efficiency of 0.48% is obtained. The solar cell properties of our photoanodes suggest that the TiO2 nanorod array films co-sensitized by AgInS2 nanoclusters have potential applications in solar cells.

  1. Specific heat and thermodynamic functions of uranovanadates of the M2+(VUO6)2 · nH2O series (M2+ = Mg, Ca, Sr, Ba, Pb)

    International Nuclear Information System (INIS)

    Karyakin, N.V.; Chernorukov, N.G.; Sulejmanov, E.V.; Trostin, V.L.; Alimzhanov, M.I.; Razuvaeva, E.A.

    1999-01-01

    Isobaric specific heat of crystal uranovanadates Ca(VUO 6 ) 2 · 8H 2 O, Ba(VUO 6 ) 2 · 4H 2 O in the temperature range of 10 - 300 K and of M 1 (VUO 6 ) 2 · 5H 2 O, (M 1 = Mg, Ca, Sr, Pb) at 80 -300 K are measured by the method of adiabatic vacuum calorimetry. The functions H 0 (T) - H 0 (0), S 0 (T), G 0 (T) - H 0 (T) for all the above-mentioned compounds in the range of 0 - 300 K have been calculated, the standard entropies and Gibbs functions of uranovanadates formation at 298.15 K being calculated as well [ru

  2. [H3N(CH2)4NH3]2[Al4(C2O4)(H2PO4)2(PO4)4].4[H2O]: A new layered aluminum phosphate-oxalate

    International Nuclear Information System (INIS)

    Peng Li; Li Jiyang; Yu Jihong; Li Guanghua; Fang Qianrong; Xu Ruren

    2005-01-01

    A new layered inorganic-organic hybrid aluminum phosphate-oxalate [H 3 N(CH 2 ) 4 NH 3 ] 2 [Al 4 (C 2 O 4 )(H 2 PO 4 ) 2 (PO 4 ) 4 ].4[H 2 O](AlPO-CJ25) has been synthesized hydrothermally, by using 1,4-diaminobutane (DAB) as structure-directing agent. The structure has been solved by single-crystal X-ray diffraction analysis and further characterized by IR, 31 P MAS NMR, TG-DTA as well as compositional analyses. Crystal data: the triclinic space group P-1, a=8.0484(7) A, b=8.8608(8) A, c=13.2224(11) A, α=80.830(6) deg. , β=74.965(5) deg. , γ=78.782(6) deg. , Z=2, R 1[ I >2 σ ( I )] =0.0511 and wR 2(alldata) =0.1423. The alternation of AlO 4 tetrahedra and PO 4 tetrahedra gives rise to the four-membered corner-sharing chains, which are interconnected through AlO 6 octahedra to form the layered structure with 4,6-net sheet. Interestingly, oxalate ions are bis-bidentately bonded by participating in the coordination of AlO 6 , and bridging the adjacent AlO 6 octahedra. The layers are held with each other through strong H-bondings between the terminal oxygens. The organic ammonium cations and water molecules are located in the large cavities between the interlayer regions. -- Graphical abstract: The alternation of AlO 4 tetrahedra and PO 4 tetrahedra gives rise to the four-membered corner-sharing chains, which are interconnected through AlO 6 octahedra to form the layered structure with 4,6-net sheet. Oxalate ions are bis-bidentately boned by participating in the coordination of AlO 6 , and bridging the adjacent AlO 6 octahedra

  3. Propane-1,3-diammonium bis[aquachlorido(4-hydroxypyridine-2,6-dicarboxylato-κ3O2,N,O6mercurate(II] tetrahydrate

    Directory of Open Access Journals (Sweden)

    Hossein Aghabozorg

    2008-08-01

    Full Text Available The reaction of mercury(II chloride dihydrate, propane-1,3-diamine and 4-hydroxypyridine-2,6-dicarboxylic acid in a 1:1:1 molar ratio in aqueous solution, resulted in the formation of the title compound, (C3H12N2[Hg(C7H3NO5Cl(H2O]2·4H2O or (pnH2[Hg(hypydcCl(H2O]2·4H2O (where pn is propane-1,3-diamine and hypydcH2 is 4-hydroxypyridine-2,6-dicarboxylic acid. The metal atom is coordinated by one chloride group, one water molecule cis to the chloride ligand and one (hypydc2− ligand. The coordinated water molecule is almost perpendicular to the plane of the aromatic ring of (hypydc2−. The geometry of the resulting HgClNO3 coordination can be described as distorted square-pyramidal. This structure also contains propane-1,3-diammonium (site symmetry 2 as a counter-ion and four uncoordinated water molecules. There is a wide range of non-covalent interactions consisting of hydrogen bonding [of the types O—H...O, N—H...O and C—H...O, with D...A ranging from 2.548 (5 to 3.393 (6 Å] and ion pairing.

  4. Multicomponent Biginelli's synthesis of 3,4-dihydropyrimidin-2(1H-ones promoted by SnCl2.2H2O

    Directory of Open Access Journals (Sweden)

    Russowsky Dennis

    2004-01-01

    Full Text Available The ability of SnCl2.2H2O as catalyst to promote the Biginelli three-component condensation reaction from a diversity of aromatic aldehydes, ethyl acetoacetate and urea or thiourea is described. The reaction was carried out in acetonitrile or ethanol as solvents in neutral media and represents an improvement of the classical Biginelli protocol and an advantage in comparison with FeCl3.6H2O, NiCl2.6H2O and CoCl2.6H2O which were used with HCl as co-catalyst. The synthesis of 3,4-dihydropyrimidinones was achieved in good to excelent yields.

  5. LiOH - H2O2 - H2O trinary system study for the selection of optimal conditions of lithium peroxide synthesis

    International Nuclear Information System (INIS)

    Nefedov, R A; Ferapontov, Yu A; Kozlova, N P

    2016-01-01

    Using solubility method the decay kinetics of peroxide products contained in liquid phase of LiOH - H 2 O 2 - H 2 O trinary system with 2 to 6% by wt hydrogen peroxide content in liquid phase in 21 to 33 °C temperature range has been studied. Conducted studies have allowed to determine temperature and concentration limits of solid phase existence of Li 2 O 2 ·H 2 O content, distinctness of which has been confirmed using chemical and qualitative X- ray phase analysis. Stabilizing effect of solid phase of Li 2 O 2 ·H 2 O content on hydrogen peroxide decay contained in liquid phase of LiOH - H 2 O 2 - H 2 O trinary system under conditions of experiments conducted has been shown. (paper)

  6. LiOH - H2O2 - H2O trinary system study for the selection of optimal conditions of lithium peroxide synthesis

    Science.gov (United States)

    Nefedov, R. A.; Ferapontov, Yu A.; Kozlova, N. P.

    2016-01-01

    Using solubility method the decay kinetics of peroxide products contained in liquid phase of LiOH - H2O2 - H2O trinary system with 2 to 6% by wt hydrogen peroxide content in liquid phase in 21 to 33 °C temperature range has been studied. Conducted studies have allowed to determine temperature and concentration limits of solid phase existence of Li2O2·H2O content, distinctness of which has been confirmed using chemical and qualitative X- ray phase analysis. Stabilizing effect of solid phase of Li2O2·H2O content on hydrogen peroxide decay contained in liquid phase of LiOH - H2O2 - H2O trinary system under conditions of experiments conducted has been shown.

  7. Size-controlled synthesis of SnO{sub 2} quantum dots and their gas-sensing performance

    Energy Technology Data Exchange (ETDEWEB)

    Du, Jianping, E-mail: dujp518@163.com [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Zhao, Ruihua [Shanxi Kunming Tobacco Limited Liability Company, Taiyuan 030012, Shanxi (China); Xie, Yajuan [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Li, Jinping, E-mail: jpli211@hotmail.com [Research Institute of Special Chemicals, Taiyuan University of Technology, Shanxi, 030024 (China)

    2015-08-15

    Graphical abstract: The gas-sensing property of quantum dots is related to their sizes. SnO{sub 2} quantum dots (TQDs) were synthesized and the sizes were controlled by a simple strategy. The results show that controlling QDs size is efficient to detect low-concentration hazardous volatile compounds selectively. - Highlights: • SnO{sub 2} quantum dots with controllable size were synthesized by hydrothermal route. • The sizes of SnO{sub 2} quantum dots (TQDs) were controlled by a simple strategy. • The responses to volatile chemicals strongly depend on the size of quantum dots. • Small-size TQDs exhibit a good selectivity and response to triethylamine. • Controlling size is efficient to detect low-concentration toxic gases selectively. - Abstract: Tin dioxide quantum dots (TQDs) with controllable size were synthesized by changing the amount of alkaline reagent in the hydrothermal process. The gas-sensing properties were investigated by operating chemoresistor type sensor. The morphology and structure were characterized by X-ray diffraction, scanning/transmission electron microscopy, UV–vis and Raman spectrometry. The as-synthesized SnO{sub 2} shows the characteristics of quantum dots and the narrowest size distribution is about 2–3 nm. The gas-sensing results indicate that the responses are strongly dependent on the size of quantum dots. TQDs with different sizes exhibit different sensitivities and selectivities to volatile toxic chemicals such as aldehyde, acetone, methanol, ethanol and amine. Especially, when the sensors are exposed to 100 ppm triethylamine (TEA), the sensing response value of TQDs with small size is two times higher than that of the large-size TQDs. The maximum response values of TQDs to 1 ppm and 100 ppm TEA are 15 and 153, respectively. The response time is 1 s and the recovery time is 47 s upon exposure to 1 ppm TEA. The results suggest that it is an effective method by regulating the size of SnO{sub 2} quantum dots to detect low

  8. Oxidant effect of La(NO{sub 3}){sub 3}·6H{sub 2}O solution on the crystalline characteristics of nanocrystalline ZrO{sub 2} films grown by atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Oh, Nam Khen [Graduate School of Energy Science and Technology, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134 (Korea, Republic of); Vacuum Center, Korea Research Institute of Standards and Science (KRISS), 267 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Kim, Jin-Tae [Vacuum Center, Korea Research Institute of Standards and Science (KRISS), 267 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Department of Nanomaterials Science and Engineering, University of Science and Technology, 217 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Kang, Goru; An, Jong-Ki; Nam, Minwoo [Vacuum Center, Korea Research Institute of Standards and Science (KRISS), 267 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Kim, So Yeon [Graduate School of Energy Science and Technology, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134 (Korea, Republic of); Park, In-Sung, E-mail: parkis77@hanyang.ac.kr [Institute of Nano Science and Technology, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763 (Korea, Republic of); Yun, Ju-Young, E-mail: jyun@kriss.re.kr [Vacuum Center, Korea Research Institute of Standards and Science (KRISS), 267 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Department of Nanomaterials Science and Engineering, University of Science and Technology, 217 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of)

    2017-02-01

    Highlights: • The La(NO{sub 3}){sub 3}·6H{sub 2}O aqua solution is introduced as an oxidant in ALD process. • The H{sub 2}O and La(NO{sub 3}){sub 3}·6H{sub 2}O lead different crystalline properties of ZrO{sub 2} films. • Concentration of La(NO{sub 3}){sub 3}·6H{sub 2}O solution minimally influences crystalline status. - Abstract: Nanocrystalline ZrO{sub 2} films were synthesized by atomic layer deposition method using CpZr[N(CH{sub 3}){sub 2}]{sub 3} (Cp = C{sub 5}H{sub 5}) as the metal precursor and La(NO{sub 3}){sub 3}·6H{sub 2}O solution as the oxygen source. La element in the deposited ZrO{sub 2} films could not be detected as its content was below the resolution limit of the X-ray photoelectron spectroscopy. The alternative introduction of La(NO{sub 3}){sub 3}·6H{sub 2}O solution to conventionally used H{sub 2}O as the oxidant effectively altered the crystalline structure, grain size, and surface roughness of the grown ZrO{sub 2} films. Specifically, the crystalline structure of the ZrO{sub 2} film changed from a mixture of tetragonal and monoclinic phases to monoclinic phase. The average grain size also increased, and the resulting film surface became rougher. The average grain sizes of the ZrO{sub 2} films prepared from La(NO{sub 3}){sub 3}·6H{sub 2}O solution at concentrations of 10, 20, 30, and 40% were 280, 256, 208, and 200 nm, respectively, whereas that prepared using H{sub 2}O oxidant was 142 nm. However, the concentration of La(NO{sub 3}){sub 3}·6H{sub 2}O solution minimally influenced the crystalline characteristics of the nanocrystalline ZrO{sub 2} films i.e., the crystalline structure, grain size, and surface roughness except for crystallite size.

  9. Thermal And Gamma-Radiation Annealing Of The Iridium-192 Recoil Species In Crystalline Na{sub 2}IrCl{sub 6} {center_dot} 6H{sub 2}O; Recuit Thermique et par Rayonnement Gamma de l'espece {sup 192}Ir de Recul dans des Cristaux de Na{sub 2}IrCl{sub 6} * 6H{sub 2}O; 0422 0415 041f 041b 041e 0412 041e 0419 0418 0413 0410 041c 041c 0410 - 041e 0422 0416 0418 0413 041f 0420 041e 0414 0423 041a 0422 041e 0412 041e 0422 0414 0410 0427 0418 0418 0420 0418 0414 0418 042f -192 0412 041a 0420 0418 0421 0422 0410 041b 041b 0418 0427 0415 0421 041a 041e 041c Na{sub 2}IrCl{sub 6} {center_dot} 6H{sub 2}O; Regeneracion Termica y por Irradiacion Gamma de las Especies de Retroceso del Iridio-192 en Na{sub 2}IrCl{sub 6} {center_dot} 6H{sub 2}O Cristalino

    Energy Technology Data Exchange (ETDEWEB)

    Bell, Rita; Herr, W. [Kernforschungsanlage Juelich, Institut fuer Kernchemie der Universitaet Koeln, Cologne, Federal Republic of Germany (Germany)

    1965-04-15

    Ii is possible to separate by means of paper electrophoresis as many as 13 different recoil compounds from Na{sub 2}IrCl{sub 6}H{sub 2}O {center_dot} 6H{sub 2}O as a result of the nuclear reaction Ir{sup 191} (n, {gamma}) Ir{sup 192}. While most of them have anionic character, two of them act as Irwz-labelled cations. These carrier-free compounds have been studied as regards their behaviour towards reducing and oxidizing agents and aging in solution. Independently the hydrolysis of the hexachloro complexes of ter- and quadrivalent iridium, which had been labelled with Cl{sup 36} and Ir{sup 192}, was investigated. A comparison between these two series of results supported by further results from neutron activation analysis enables the recoil products to be identified mostly as octahedral complexes of Ir-III containing Cl{sup -}, H{sub 2}O and OH{sup -} ligands to a different extent. Evidently the water of crystallization plays an important role in the formation of the recoil species. The thermal annealing of these products at 120 Degree-Sign C shows a rapid decrease in the yields of the aquochloro, hydroxochloro and aquohydroxochloro complexes towards formation of the mother compound with the exception of the pentachloro complex. This complex decreases only after an initial increase, indicating that it is involved as an intermediate from other accompanying products during their annealing. Gamma-radiation annealing reveals many single steps whose general trend is a transition from lesser Cl-containing species to a higher Cl content leading finally to the hexachloro complex. This shows that the annealing process consists in the re-entering of Cl atoms (or ions) into the ligand sphere with the accompanying displacement of H{sub 2}O as well as OH (OH{sup -}). (author) [French] Il est possible de separer de Na{sub 2}IrCl{sub 6}(6H{sub 2}O), au moyen de l'electrophorese sur papier, jusqu'a 13 composes de recul resultant de la reaction nucleaire {sup 191}Ir(n, {gamma

  10. Gate-stack engineering for self-organized Ge-dot/SiO2/SiGe-shell MOS capacitors

    Directory of Open Access Journals (Sweden)

    Wei-Ting eLai

    2016-02-01

    Full Text Available We report the first-of-its-kind, self-organized gate-stack heterostructure of Ge-dot/SiO2/SiGe-shell on Si fabricated in a single step through the selective oxidation of a SiGe nano-patterned pillar over a Si3N4 buffer layer on a Si substrate. Process-controlled tunability of the Ge-dot size (7.5−90 nm, the SiO2 thickness (3−4 nm, and as well the SiGe-shell thickness (2−15 nm has been demonstrated, enabling a practically-achievable core building block for Ge-based metal-oxide-semiconductor (MOS devices. Detailed morphologies, structural, and electrical interfacial properties of the SiO2/Ge-dot and SiO2/SiGe interfaces were assessed using transmission electron microscopy, energy dispersive x-ray spectroscopy, and temperature-dependent high/low-frequency capacitance-voltage measurements. Notably, NiGe/SiO2/SiGe and Al/SiO2/Ge-dot/SiO2/SiGe MOS capacitors exhibit low interface trap densities of as low as 3-5x10^11 cm^-2·eV^-1 and fixed charge densities of 1-5x10^11 cm^-2, suggesting good-quality SiO2/SiGe-shell and SiO2/Ge-dot interfaces. In addition, the advantage of having single-crystalline Si1-xGex shell (x > 0.5 in a compressive stress state in our self-aligned gate-stack heterostructure has great promise for possible SiGe (or Ge MOS nanoelectronic and nanophotonic applications.

  11. Production of 34S-labeled gypsum (Ca34SO4.2H2O Produção de gesso (Ca34SO4.2H2O, marcado com 34S

    Directory of Open Access Journals (Sweden)

    Alexssandra Luiza Rodrigues Molina Rossete

    2006-08-01

    Full Text Available Agricultural gypsum (CaSO4.2H2O stands out as an effective source of calcium and sulfur, and to control aluminum saturation in the soil. Labeled as 34S it can elucidate important aspects of the sulfur cycle. Ca34SO4.2H2O was obtained by chemical reaction between Ca(OH2 and H2(34SO4, performed under slow agitation. The acid was produced by ion exchange chromatography using the Dowex 50WX8 cation exchange resin and a Na2(34SO4 eluting solution. After precipitation, the precipitate was separated and dried in a ventilated oven at 60ºC. From 2.2 L H2SO4 0.2 mol L-1 and 33.6 g Ca(OH2, 73.7 ± 0.6 g Ca34SO4.2H2O were produced on average in the tests, representing a mean yield of 94.6 ± 0.8%, with 98% purity. The 34SO2 gas was obtained from Ca34SO4.2H2O in the presence of NaPO3 in a high vacuum line and was used for the isotopic determination of S in an ATLAS-MAT model CH-4 mass spectrometer.O gesso agrícola (CaSO4.2H2O destaca-se como fonte eficiente de cálcio e enxofre e na redução da saturação de alumínio no solo. O 34S como traçador isotópico pode elucidar aspectos importantes no ciclo do enxofre. Para tanto o Ca34SO4.2H2O foi obtido por reação química entre o Ca(OH2 e solução de H2(34SO4, realizada sob agitação lenta. O ácido foi produzido por cromatografia de troca iônica, utilizando resina catiônica Dowex 50WX8 e solução eluente de Na2(34SO4. Após a precipitação foi separado o precipitado e realizada a secagem em estufa ventilada à temperatura de 60ºC. Nos testes, a partir de 2,2 L de H2SO4 0,2 mol L-1 e 33,6 g de Ca(OH2, foram produzidos em média 73,7 ± 0,6 g de Ca34SO4.2H2O representando um rendimento médio de 94,6 ± 0,8%, com pureza de 98%. A partir do Ca34SO4.2H2O na presença de NaPO3, em linha de alto vácuo, obteve-se o gás 34SO2 utilizado para a determinação isotópica do S no espectrômetro de massas ATLAS-MAT modelo CH-4.

  12. Time-dependent Enhanced Corrosion of Ti6Al4V in the Presence of H2O2 and Albumin.

    Science.gov (United States)

    Zhang, Yue; Addison, Owen; Yu, Fei; Troconis, Brendy C Rincon; Scully, John R; Davenport, Alison J

    2018-02-16

    There is increasing concern regarding the biological consequences of metal release from implants. However, the mechanisms underpinning implant surface degradation, especially in the absence of wear, are often poorly understood. Here the synergistic effect of albumin and H 2 O 2 on corrosion of Ti6Al4V in physiological saline is studied with electrochemical methods. It is found that albumin induces a time-dependent dissolution of Ti6Al4V in the presence of H 2 O 2 in physiology saline. Potentiostatic polarisation measurements show that albumin supresses dissolution in the presence of H 2 O 2 at short times (<24 h) but over longer time periods (120 h) it significantly accelerates corrosion, which is attributed to albumin-catalysed dissolution of the corrosion product layer resulting in formation of a thinner oxide film. Dissolution of Ti6Al4V in the presence of albumin and H 2 O 2 in physiological saline is also found to be dependent on potential: the titanium ion release rate is found to be higher (0.57 µg/cm 2 ) at a lower potential (90 mV), where the oxide capacitance and resistance inferred from Electrochemical Impedance Spectroscopy also suggests a less resistant oxide film. The study highlights the importance of using more realistic solutions, and considering behaviour over longer time periods when testing corrosion resistance of metallic biomaterials.

  13. Influence of Quantum Dot Concentration on Carrier Transport in ZnO:TiO2 Nano-Hybrid Photoanodes for Quantum Dot-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Francis S. Maloney

    2016-10-01

    Full Text Available Zinc oxide nanowire and titanium dioxide nanoparticle (ZnO:TiO2 NW/NP hybrid films were utilized as the photoanode layer in quantum dot-sensitized solar cells (QDSSCs. CdSe quantum dots (QDs with a ZnS passivation layer were deposited on the ZnO:TiO2 NW/NP layer as a photosensitizer by successive ion layer adsorption and reaction (SILAR. Cells were fabricated using a solid-state polymer electrolyte and intensity-modulated photovoltage and photocurrent spectroscopy (IMVS/PS was carried out to study the electron transport properties of the cell. Increasing the SILAR coating number enhanced the total charge collection efficiency of the cell. The electron transport time constant and diffusion length were found to decrease as more QD layers were added.

  14. Chlorogenic acid analogues from Gynura nepalensis protect H9c2 cardiomyoblasts against H2O2-induced apoptosis.

    Science.gov (United States)

    Yu, Bang-Wei; Li, Jin-Long; Guo, Bin-Bin; Fan, Hui-Min; Zhao, Wei-Min; Wang, He-Yao

    2016-11-01

    Chlorogenic acid has shown protective effect on cardiomyocytes against oxidative stress-induced damage. Herein, we evaluated nine caffeoylquinic acid analogues (1-9) isolated from the leaves of Gynura nepalensis for their protective effect against H 2 O 2 -induced H9c2 cardiomyoblast damage and explored the underlying mechanisms. H9c2 cardiomyoblasts were exposed to H 2 O 2 (0.3 mmol/L) for 3 h, and cell viability was detected with MTT assay. Hoechst 33342 staining was performed to evaluate cell apoptosis. MMPs (mitochondrial membrane potentials) were measured using a JC-1 assay kit, and ROS (reactive oxygen species) generation was measured using CM-H 2 DCFDA. The expression levels of relevant proteins were detected using Western blot analysis. Exposure to H 2 O 2 markedly decreased the viability of H9c2 cells and catalase activity, and increased LDH release and intracellular ROS production; accompanied by a loss of MMP and increased apoptotic rate. Among the 9 chlorogenic acid analogues as well as the positive control drug epigallocatechin gallate (EGCG) tested, compound 6 (3,5-dicaffeoylquinic acid ethyl ester) was the most effective in protecting H9c2 cells from H 2 O 2 -induced cell death. Pretreatment with compound 6 (1.56-100 μmol/L) dose-dependently alleviated all the H 2 O 2 -induced detrimental effects. Moreover, exposure to H 2 O 2 significantly increased the levels of Bax, p53, cleaved caspase-8, and cleaved caspase-9, and decreased the level of Bcl-2, resulting in cell apoptosis. Exposure to H 2 O 2 also significantly increased the phosphorylation of p38, JNK and ERK in the H9c2 cells. Pretreatment with compound 6 (12.5 and 25 μmol/L) dose-dependently inhibited the H 2 O 2 -induced increase in the level of cleaved caspase-9 but not of cleaved caspase-8. It also dose-dependently suppressed the H 2 O 2 -induced phosphorylation of JNK and ERK but not that of p38. Compound 6 isolated from the leaves of Gynura nepalensis potently protects H9c2

  15. 2-D and 3-D phosphotungstate-based TM-Ln heterometallic derivatives constructed from dimeric [Ln({alpha}-PW{sub 11}O{sub 39}){sub 2}]{sup 11-} fragments and copper-organic complex linkers

    Energy Technology Data Exchange (ETDEWEB)

    Shang, Sensen [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Zhao, Junwei, E-mail: zhaojunwei@henu.edu.cn [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Chen, Lijuan [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Basic Experiment Teaching Center, Henan University, Kaifeng, Henan 475004 (China); Li, Yuye; Zhang, Jingli; Li, Yanzhou [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Niu, Jingyang, E-mail: jyniu@henu.edu.cn [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China)

    2012-12-15

    Three organic-inorganic hybrid TM-Ln heterometallic phosphotungstates [Cu(dap){sub 2}(H{sub 2}O)][Cu(dap){sub 2}]{sub 3.5}[La({alpha}-HPW{sub 11}O{sub 39}){sub 2}]{center_dot}6H{sub 2}O (1) [Cu(dap){sub 2}(H{sub 2}O)]{sub 0.5}[Cu(dap){sub 2}]{sub 4}[Nd({alpha}-HPW{sub 11}O{sub 39}){sub 2}]{center_dot}4H{sub 2}O (2) and [Cu(dap){sub 2}(H{sub 2}O)]{sub 2}[Cu(dap){sub 2}]{sub 3.5}[Eu({alpha}-PW{sub 11}O{sub 39}){sub 2}]{center_dot}6H{sub 2}O (3) (dap=1,2-diaminopropane) have been hydrothermally synthesized and structurally characterized by elemental analyses, IR spectra, optical diffuse reflectance spectra, powder X-ray diffraction (PXRD), thermogravimetric (TG) analyses and single-crystal X-ray diffraction. Their common features are that 1-3 all consist of asymmetric sandwich-type subunits [Ln({alpha}-PW{sub 11}O{sub 39}){sub 2}]{sup 11-} and [Cu(dap){sub 2}]{sup 2+} bridges. Both 1 and 2 display the 2-D (4,4)-topological sheets whereas 3 exhibits the 3-D 5-connected (4{sup 6}{center_dot}6{sup 4}) topological framework. The magnetic properties of 2 and 3 and the luminescence performance of 3 have been measured. - Graphical Abstract: Three TM-Ln heterometallic phosphotungstates 1-3 have been synthesized and characterized by elemental analyses, IR spectra, optical diffuse reflectance spectra, X-ray diffraction, thermogravimetric analyses magnetic susceptibility and luminescent properties. Highlights: Black-Right-Pointing-Pointer Cu{sup II}-Ln{sup III} heterometallic polyoxometalates. Black-Right-Pointing-Pointer 2-D and 3-D organic-inorganic hybrid phosphotungstates. Black-Right-Pointing-Pointer 2-D and 3-D structures consisting of Cu{sup II}-Ln{sup III} heterometals.

  16. Preparation and characterization of Fe3O4-Ag2O quantum dots decorated cellulose nanofibers as a carrier of anticancer drugs for skin cancer.

    Science.gov (United States)

    Fakhri, Ali; Tahami, Shiva; Nejad, Pedram Afshar

    2017-10-01

    The Best performance drug delivery systems designed with Fe 3 O 4 -Ag 2 O quantum dots decorated cellulose nanofibers which that grafted with Etoposide and Methotrexate. Morphology properties were characterized by Scanning and Transmittance electron microscopy. The crystalline structure of prepared sample was evaluated using by X-ray diffraction. The vibrating sample magnetometer analysis was used for magnetic behavior of samples. The size distributions of Fe 3 O 4 -Ag 2 O QDs/Cellulose fibers nanocomposites indicate that the average diameter was 62.5nm. The Saturation magnetization (Ms) indicates the Fe 3 O 4 -Ag 2 O QDs/Cellulose fibers nanocomposites have ferromagnetic properties in nature. For make carrier, the Iron and Silver should be binds to cellulose nanofibers and to drug molecules and observe in UV-vis spectroscopy. The drug release kinetics was studied in vitro as spectrophotometrically. The release of Etoposide and Methotrexate were carried out with a constant speed, and the equilibrium reached at 24 and 30h with a total amount 78.94% and 63.84%, respectively. The results demonstrated that the obtained Fe 3 O 4 -Ag 2 O quantum dots/cellulose fibers nanocomposites could be applied for drug delivery systems. Cytotoxicity and antioxidant study confirmed the activity of the drug incorporated in nanocomposites. In addition, the cytotoxicity of drug was increased when loaded on nanocomposites, compared to pure Fe 3 O 4 -Ag 2 O quantum dots/cellulose fibers nanocomposites. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Synthesis and structure of a 1,6-hexyldiamine heptaborate, [H3N(CH2)6NH3][B7O10(OH)3

    International Nuclear Information System (INIS)

    Yang Sihai; Li Guobao; Tian Shujian; Liao Fuhui; Xiong Ming; Lin Jianhua

    2007-01-01

    A new 1,6-hexyldiamine heptaborate, [H 3 N(CH 2 ) 6 NH 3 ][B 7 O 10 (OH) 3 ] (1), has been solvothermally synthesized and characterized by single-crystal X-ray diffraction, FTIR, elemental analysis, and thermogravimetric analysis. Compound 1 crystallizes in monoclinic system, space group P2 1 /n with a=8.042(2) A, b=20.004(4) A, c=10.103(2) A, and β=90.42(3) deg. The anionic [B 7 O 10 (OH) 3 ] n 2n- layers are interlinked via hydrogen bonding to form a 3D supramolecular network containing large channels, in which the templated [H 3 N(CH 2 ) 6 NH 3 ] 2+ cations are located. - Graphical abstract: A layered 1,6-hexyldiamine heptaborate, [H 3 N(CH 2 ) 6 NH 3 ][B 7 O 10 (OH) 3 ], was solvothermally synthesized at 150 deg. C. It is a layer borate and crystallized in monoclinic space group P2 1 /n with a=8.042(2) A, b=20.004(4) A, c=10.103(2) A, β=90.42(3) deg

  18. Magnetic properties of CoBr2.6[(1-x)H2O.xD2O

    International Nuclear Information System (INIS)

    Hijmans, J.P.A.M.

    1979-01-01

    The magnetic properties of CoBr 2 .6H 2 O and the anomalous effects upon deuteration have been studied. The experimental techniques employed are described and the high-temperature behaviour of the susceptibility analysed in terms of a crystal-field model combined with a high-temperature expansion for the exchange contribution. The high-temperature behaviour of the specific heat is studied and several kinds of experiments performed in the ordered state below Tsub(N). The XY plane anisotropy is deduced from antiferromagnetic resonance data and attention paid to the spatial dimensionality of the system. A comparison of parameters determined from experiments below and above Tsub(N) is made and the effects of deuteration discussed. (Auth.)

  19. Analysis of the different zones of glow discharge of ethyl alcohol (C2H6O)

    International Nuclear Information System (INIS)

    Torres, C; Reyes, P G; Mulia, J; Castillo, F; Martínez, H

    2014-01-01

    The aim of this work is to explore the emission spectroscopy of ethyl alcohol in some regions, also is determine the result elements of the glow discharge, the spectrums were observed in a range of 200 at 1100 nm in the different zones inside of the tube at different distances of 20 and 30 cm. The elements are: in anode region C 6 H 5 (483.02 nm), CHO (519.56 nm) and H 2 (560.47 nm), in the positive column CO 2 + (315.52 y 337.00 nm), O + (357.48 nm), CH + (380.61 nm) and CO + (399.73 nm); in the cathode region we observed O + (391.19 nm), CHOCHO (428.00 nm), CO + (471.12 nm) and H 2 (656.52 nm). C 6 H 5 , CHO y H 2 species occurring in all regions analyzed varying the glow discharge emission intensity.

  20. Facile one-step hydrothermal synthesis toward strongly coupled TiO2/graphene quantum dots photocatalysts for efficient hydrogen evolution

    International Nuclear Information System (INIS)

    Min, Shixiong; Hou, Jianhua; Lei, Yonggang; Ma, Xiaohua; Lu, Gongxuan

    2017-01-01

    Highlights: • TiO 2 /GQDs composites were prepared by a facile one-step hydrothermal method. • GQDs were strongly coupled onto the surface of TiO 2 nanoparticles by this method. • The TiO 2 /GQDs showed enhanced light absorption and charge separation efficiency. • The TiO 2 /GQDs exhibited higher photocatalytic H 2 evolution activity than pure TiO 2 . • GQDs play synergistic roles by acting as both photosensitizer and electron acceptor. - Abstract: The coupling of semiconductor photocatalysts with graphene quantum dots (GQDs) has been proven to be an effective strategy to enhance the photocatalytic and photoelectrical conversion performances of the resulted composites; however, the preparation of semiconductor/GQDs composites usually involves several time-inefficient and tedious post-treatment steps. Herein, we present a facile one-step hydrothermal route for the preparation of GQDs coupled TiO 2 (TiO 2 /GQDs) photocatalysts using 1,3,6-trinitropyrene (TNP) as the sole precursor of GQDs. During the hydrothermal process, TNP molecules undergo an intramolecular fusion to form GQDs, which simultaneously decorate on the surface of TiO 2 nanoparticles, leading to a strong surface interaction between the two components. The effective coupling of GQDs on TiO 2 can effectively extend the light absorption of the TiO 2 to visible region and enhance the charge separation efficiency of TiO 2 /GQDs composites as a result of GQDs acting as a photosensitizer and an excellent electron acceptor. These key advances make the TiO 2 /GQDs photocatalyst highly active towards the H 2 evolution reaction, resulting in 7 and 3 times higher H 2 evolution rate and photocurrent response at optimal GQDs content than TiO 2 alone, respectively. This study provides a new methodology for the development of high-performance GQDs modified semiconductor photocatalysts for energy conversion applications.

  1. Time-dependent pH sensing phenomena using CdSe/ZnS quantum dots in EIS structure.

    Science.gov (United States)

    Kumar, Pankaj; Maikap, Siddheswar; Prakash, Amit; Tien, Ta-Chang

    2014-04-12

    Time-dependent pH sensing phenomena of the core-shell CdSe/ZnS quantum dot (QD) sensors in EIS (electrolyte insulator semiconductor) structure have been investigated for the first time. The quantum dots are immobilized by chaperonin GroEL protein, which are observed by both atomic force microscope and scanning electron microscope. The diameter of one QD is approximately 6.5 nm. The QDs are not oxidized over a long time and core-shell CdSe/ZnS are confirmed by X-ray photon spectroscopy. The sensors are studied for sensing of hydrogen ions concentration in different buffer solutions at broad pH range of 2 to 12. The QD sensors show improved sensitivity (38 to 55 mV/pH) as compared to bare SiO2 sensor (36 to 23 mV/pH) with time period of 0 to 24 months, owing to the reduction of defects in the QDs. Therefore, the differential sensitivity of the QD sensors with respect to the bare SiO2 sensors is improved from 2 to 32 mV/pH for the time period of 0 to 24 months. After 24 months, the sensitivity of the QD sensors is close to ideal Nernstian response with good linearity of 99.96%. Stability and repeatability of the QD sensors show low drift (10 mV for 10 cycles) as well as small hysteresis characteristics (sensor is very useful for future human disease diagnostics.

  2. Does residual H2O2 result in inhibitory effect on enhanced anaerobic digestion of sludge pretreated by microwave-H2O2 pretreatment process?

    Science.gov (United States)

    Liu, Jibao; Jia, Ruilai; Wang, Yawei; Wei, Yuansong; Zhang, Junya; Wang, Rui; Cai, Xing

    2017-04-01

    This study investigated the effects of residual H 2 O 2 on hydrolysis-acidification and methanogenesis stages of anaerobic digestion after microwave-H 2 O 2 (MW-H 2 O 2 ) pretreatment of waste activated sludge (WAS). Results showed that high sludge solubilization at 35-45 % was achieved after pretreatment, while large amounts of residual H 2 O 2 remained and refractory compounds were thus generated with high dosage of H 2 O 2 (0.6 g H 2 O 2 /g total solids (TS), 1.0 g H 2 O 2 /g TS) pretreatment. The residual H 2 O 2 not only inhibited hydrolysis-acidification stage mildly, such as hydrolase activity, but also had acute toxic effect on methanogens, resulting in long lag phase, low methane yield rate, and no increase of cumulative methane production during the 30-day BMP tests. When the low dosage of H 2 O 2 at 0.2 g H 2 O 2 /g TS was used in MW-H 2 O 2 pretreatment, sludge anaerobic digestion was significantly enhanced. The cumulative methane production increased by 29.02 %, but still with a lag phase of 1.0 day. With removing the residual H 2 O 2 by catalase, the initial lag phase of hydrolysis-acidification stage decreased from 1.0 to 0.5 day.

  3. Degradation mechanism of alachlor during direct ozonation and O(3)/H(2)O(2) advanced oxidation process.

    Science.gov (United States)

    Qiang, Zhimin; Liu, Chao; Dong, Bingzhi; Zhang, Yalei

    2010-01-01

    The degradation of alachlor by direct ozonation and advanced oxidation process O(3)/H(2)O(2) was investigated in this study with focus on identification of degradation byproducts. The second-order reaction rate constant between ozone and alachlor was determined to be 2.5+/-0.1M(-1)s(-1) at pH 7.0 and 20 degrees C. Twelve and eight high-molecular-weight byproducts (with the benzene ring intact) from alachlor degradation were identified during direct ozonation and O(3)/H(2)O(2), respectively. The common degradation byproducts included N-(2,6-diethylphenyl)-methyleneamine, 8-ethyl-3,4-dihydro-quinoline, 8-ethyl-quinoline, 1-chloroacetyl-2-hydro-3-ketone-7-acetyl-indole, 2-chloro-2',6'-diacetyl-N-(methoxymethyl)acetanilide, 2-chloro-2'-acetyl-6'-ethyl-N-(methoxymethyl)-acetanilide, and two hydroxylated alachlor isomers. In direct ozonation, four more byproducts were also identified including 1-chloroacetyl-2,3-dihydro-7-ethyl-indole, 2-chloro-2',6'-ethyl-acetanilide, 2-chloro-2',6'-acetyl-acetanilide and 2-chloro-2'-ethyl-6'-acetyl-N-(methoxymethyl)-acetanilide. Degradation of alachlor by O(3) and O(3)/H(2)O(2) also led to the formation of low-molecular-weight byproducts including formic, acetic, propionic, monochloroacetic and oxalic acids as well as chloride ion (only detected in O(3)/H(2)O(2)). Nitrite and nitrate formation was negligible. Alachlor degradation occurred via oxidation of the arylethyl group, N-dealkylation, cyclization and cleavage of benzene ring. After O(3) or O(3)/H(2)O(2) treatment, the toxicity of alachlor solution examined by the Daphnia magna bioassay was slightly reduced. 2009 Elsevier Ltd. All rights reserved.

  4. Optical and structural properties of carbon dots/TiO2 nanostructures prepared via DC arc discharge in liquid

    Science.gov (United States)

    Biazar, Nooshin; Poursalehi, Reza; Delavari, Hamid

    2018-01-01

    Synthesis and development of visible active catalysts is an important issue in photocatalytic applications of nanomaterials. TiO2 nanostructures coupled with carbon dots demonstrate a considerable photocatalytic activity in visible wavelengths. Extending optical absorption of a wide band gap semiconductor such as TiO2 with carbon dots is the origin of the visible activity of carbon dots modified semiconductor nanostructures. In addition, carbon dots exhibit high photostability, appropriate electron transport and chemical stability without considerable toxicity or environmental footprints. In this study, optical and structural properties of carbon dots/TiO2 nanostructures prepared via (direct current) DC arc discharge in liquid were investigated. Crystal structure, morphology and optical properties of the samples were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), and UV-visible spectroscopy respectively. SEM images show formation of spherical nanoparticles with an average size of 27 nm. In comparison with pristine TiO2, optical transmission spectrum of carbon dots/TiO2 nanostructures demonstrates an absorption edge at longer wavelengths as well a high optical absorption in visible wavelengths which is significant for visible activity of nanostructures as a photocatalyst. Finally, these results can provide a flexible and versatile pathway for synthesis of carbon dots/oxide semiconductor nanostructures with an appropriate activity under visible light.

  5. Transcriptome analysis of H2O2-treated wheat seedlings reveals a H2O2-responsive fatty acid desaturase gene participating in powdery mildew resistance.

    Directory of Open Access Journals (Sweden)

    Aili Li

    Full Text Available Hydrogen peroxide (H(2O(2 plays important roles in plant biotic and abiotic stress responses. However, the effect of H(2O(2 stress on the bread wheat transcriptome is still lacking. To investigate the cellular and metabolic responses triggered by H(2O(2, we performed an mRNA tag analysis of wheat seedlings under 10 mM H(2O(2 treatment for 6 hour in one powdery mildew (PM resistant (PmA and two susceptible (Cha and Han lines. In total, 6,156, 6,875 and 3,276 transcripts were found to be differentially expressed in PmA, Han and Cha respectively. Among them, 260 genes exhibited consistent expression patterns in all three wheat lines and may represent a subset of basal H(2O(2 responsive genes that were associated with cell defense, signal transduction, photosynthesis, carbohydrate metabolism, lipid metabolism, redox homeostasis, and transport. Among genes specific to PmA, 'transport' activity was significantly enriched in Gene Ontology analysis. MapMan classification showed that, while both up- and down- regulations were observed for auxin, abscisic acid, and brassinolides signaling genes, the jasmonic acid and ethylene signaling pathway genes were all up-regulated, suggesting H(2O(2-enhanced JA/Et functions in PmA. To further study whether any of these genes were involved in wheat PM response, 19 H(2O(2-responsive putative defense related genes were assayed in wheat seedlings infected with Blumeria graminis f. sp. tritici (Bgt. Eight of these genes were found to be co-regulated by H(2O(2 and Bgt, among which a fatty acid desaturase gene TaFAD was then confirmed by virus induced gene silencing (VIGS to be required for the PM resistance. Together, our data presents the first global picture of the wheat transcriptome under H(2O(2 stress and uncovers potential links between H(2O(2 and Bgt responses, hence providing important candidate genes for the PM resistance in wheat.

  6. Butane-1,4-diammonium bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6cadmate(II dihydrate

    Directory of Open Access Journals (Sweden)

    Najmeh Firoozi

    2008-10-01

    Full Text Available In the title compound, (C4H14N2[Cd(C7H3NO42]·2H2O, the CdII ion is coordinated by four O atoms [Cd—O = 2.2399 (17–2.2493 (17 Å] and two N atoms [Cd—N = 2.3113 (15 and 2.3917 (15 Å] from two tridentate pyridine-2,6-dicarboxylato ligands in a distorted octahedral geometry. The uncoordinated water molecules are involved in O—H...O and N—H...O hydrogen bonds, which contribute to the formation of a three-dimensional supramolecular structure, along with π–π stacking interactions [centroid–centroid distances of 3.5313 (13 and 3.6028 (11 Å between the pyridine rings of neighbouring dianions].

  7. Aquachlorido{6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene]diphenolato-κ2O1,N,N′,O1′}cobalt(III dimethylformamide monosolvate

    Directory of Open Access Journals (Sweden)

    Yun Wei

    2012-04-01

    Full Text Available In the title compound, [Co(C18H18N2O4Cl(H2O]·C3H7NO, the CoIII ion is six-coordinated by a tetradentate 6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene]diphenolate ligand, with a chloride ion and an aqua ligand in the apical positions. The compound crystallized as a dimethylformamide (DMF monosolvate. In the crystal, complex molecules are linked via O—Hwater...O hydrogen bonds to form a dimer-like arrangement. These dimers are linked via a C—H...Cl interaction, and the DMF molecule is linked to the complex molecule by C—H...O interactions.

  8. 2D NiFe/CeO2 Basic-Site-Enhanced Catalyst via in-Situ Topotactic Reduction for Selectively Catalyzing the H2 Generation from N2HH2O.

    Science.gov (United States)

    Wu, Dandan; Wen, Ming; Gu, Chen; Wu, Qingsheng

    2017-05-17

    An economical catalyst with excellent selectivity and high activity is eagerly desirable for H 2 generation from the decomposition of N 2 H 4 ·H 2 O. Here, a bifunctional two-dimensional NiFe/CeO 2 nanocatalyst with NiFe nanoparticles (∼5 nm) uniformly anchored on CeO 2 nanosheets supports has been successfully synthesized through a dynamic controlling coprecipitation process followed by in-situ topotactic reduction. Even without NaOH as catalyst promoter, as-designed Ni 0.6 Fe 0.4 /CeO 2 nanocatalyst can show high activity for selectively catalyzing H 2 generation (reaction rate (mol N2H4 mol -1 NiFe h -1 ): 5.73 h -1 ). As ceria is easily reducible from CeO 2 to CeO 2-x , the surface of CeO 2 could supply an extremely large amount of Ce 3+ , and the high-density electrons of Ce 3+ can work as Lewis base to facilitate the absorption of N 2 H 4 , which can weaken the N-H bond and promote NiFe active centers to break the N-H bond preferentially, resulting in the high catalytic selectivity (over 99%) and activity for the H 2 generation from N 2 H 4 ·H 2 O.

  9. Crystal structure of RbCe(SeO4)2 · 5H2O

    International Nuclear Information System (INIS)

    Ovanesyan, S.M.; Iskhakova, L.D.; Trunov, V.K.

    1987-01-01

    RbTR(SeO 4 ) 2 x5H 2 O TR=La-Pr are synthesized. Crystal structure of RbCe(SeO 4 ) 2 x5H 2 O is studied. Monoclinic unit parameters are: a=7,200(2), b=8,723(1), c=19,258(6) A, Β=90,88(2), ρ (calc) =3,304 sp.gr. P2 1 /c. Within the structure the Ce nine vertex cages are united by Se(1)- and Se(2)-tetrahedrons in (Ce(SeO 4 ) 2 (H 2 O) 5 ) 2 ∞ n- layers. Some crystal structure regularities of the laminated MTR(EO 4 ) 2 xnH 2 O (M=NH 4 ,K,Rb,Cs; TR=La-Ln, E=S,Se) are considered

  10. Mesospheric H2O Concentrations Retrieved from SABER/TIMED Measurements

    Science.gov (United States)

    Feofilov, A. G.; Marshall, B. T.; Garcia-Comas, M.; Kutepov, A. A.; Lopez-Puertas, M.; Manuilova, R. O.; Yankovsky, V.A.; Goldberg, R. A.; Gordley, L. L.; Petelin, S.; hide

    2008-01-01

    The SABER instrument on board the TIMED Satellite is a limb scanning infrared radiometer designed to measure temperature and minor constituent vertical profiles and energetics parameters in the mesosphere and lower thermosphere (MLT). The H2O concentrations are retrieved from 6.3 micron band radiances. The populations of H2O(v2) vibrational levels are in non-Local Thermodynamic Equilibrium (non-LTE) above approximately 55 km altitude and the interpretation of 6.3 micron radiance requires utilizing non-LTE H2O model that includes various energy exchange processes in the system of H2O vibrational levels coupled with O2, N2, and CO2 vibrational levels. We incorporated these processes including kinetics of O2/O3 photolysis products to our research non-LTE H2O model and applied it for the development and optimization of SABER operational model. The latter has been validated using simultaneous SCISAT1/ACE occultation measurements. This helped us to estimate CO2(020)-O2(X,v=I), O2(X,v=I)- H2O(010), and O2(X,v=1) O rates at mesopause temperatures that is critical for an adequate interpretation of non-LTE H2O radiances in the MLT. The first distributions of seasonal and meridional H2O concentrations retrieved from SABER 6.3 micron radiances applying an updated non-LTE H2O model are demonstrated and discussed.

  11. Crystal structure of poly[[hexaqua-1κ4O,2κ2O-bis(μ3-pyridine-2,4-dicarboxylato-1κO2:2κ2N,O2′;1′κO4cobalt(IIstrontium(II] dihydrate

    Directory of Open Access Journals (Sweden)

    Zhaojun Yu

    2015-09-01

    Full Text Available In the title polymeric complex, {[CoSr(C7H3NO42(H2O62H2O}n, the CoII ion, which is situated on a crystallographic centre of inversion, is six-coordinated by two O atoms and two N atoms from two pyridine-2,4-dicarboxylate (pydc2− ligands and two terminal water molecules in a slightly distorted octahedral geometry, to form a trans-[Co(pydc2(H2O2]2− unit. The SrII ion, situated on a C2 axis, is coordinated by four O atoms from four pydc2− ligands and four water molecules. The coordination geometry of the SrII atom can be best described as a distorted dodecahedron. Each SrII ion bridges four [Co(pydc2(H2O2]2− units by four COO− groups of four pydc2− ligands to form a three-dimensional network structure. Two additional solvent water molecules are observed in the crystal structure and are connected to the three-dimensional coordination polymer by O—H...O hydrogen bonds. Further intra- and intermolecular O—H...O hydrogen bonds consolidate the overall structure.

  12. Complexing in the system Rb2SeO4-UO2SeO4-H2O

    International Nuclear Information System (INIS)

    Kuchumova, N.V.; Shtokova, I.P.; Serezhkina, L.B.; Serezhkin, V.N.

    1989-01-01

    Method of isothermal solubility at 25 deg C is used to study interaction of rubidium and uranyl selenates in aqueous solution. Formation of congruently soluble Rb 2 UO 2 (SeO 4 ) 2 x2H 2 O and Rb 2 (UO 2 ) 2 x(SeO 4 ) 3 x6H 2 O is stated. For the last compound crystallographic characteristics (a=10.668; b=14.935(9); c=13.891(7) A; β=104.94(1); Z=4, sp.gr. P2 1 /c) are determined. Thermal decomposition of a compound results in formation of Rb 2 U 2 O 7

  13. Carbonate hydrates of the heavy alkali metals: preparation and structure of Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O und Cs{sub 2}CO{sub 3} . 3 H{sub 2}O; Carbonat-Hydrate der schweren Alkalimetalle: Darstellung und Struktur von Rb{sub 2}CO{sub 3} . 1,5 H{sub 2}O und Cs{sub 2}CO{sub 3} . 3 H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Cirpus, V.; Wittrock, J.; Adam, A. [Koeln Univ. (Germany). Inst. fuer Anorganische Chemie

    2001-03-01

    Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O and Cs{sub 2}CO{sub 3} . 3 H{sub 2}O were prepared from aqueous solution and by means of the reaction of dialkylcarbonates with RbOH and CsOH resp. in hydrous alcoholes. Based on four-circle diffractometer data, the crystal structures were determined (Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O: C2/c (no. 15), Z = 8, a = 1237.7(2) pm, b = 1385.94(7) pm, c = 747.7(4) pm, {beta} = 120.133(8) , V{sub EZ} = 1109.3(6) . 10{sup 6} pm{sup 3}; Cs{sub 2}CO{sub 3} . 3 H{sub 2}O: P2/c (no. 13), Z = 2, a = 654.5(2) pm, b = 679.06(6) pm, c = 886.4(2) pm, {beta} = 90.708(14) , V{sub EZ} = 393.9(2) . 10{sup 6} pm{sup 3}). Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O is isostructural with K{sub 2}CO{sub 3} . 1.5 H{sub 2}O. In case of Cs{sub 2}CO{sub 3} . 3 H{sub 2}O no comparable structure is known. Both structures show {sub {infinity}}{sup 1}[(CO{sub 3}{sup 2-})(H{sub 2}O)]-chains, being connected via additional H{sub 2}O forming columns (Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O) and layers (Cs{sub 2}CO{sub 3} . 3 H{sub 2}O), respectively. (orig.)

  14. 5-Fluoro-6H,7′H,8′H-spiro[indoline-3,7′-pyrano[3,2-c:5,6-c′]di-1-benzopyran]-2,6′,8′-trione

    Directory of Open Access Journals (Sweden)

    J. Suresh

    2012-03-01

    Full Text Available In the title compound, C26H12FNO6, the central pyran ring and both benzopyran systems are nonplanar, having total puckering amplitudes of 0.139 (2, 0.050 (1 and 0.112 (2 Å, respectively. The central pyran ring adopts a boat conformation. The crystal structure is stabilized by C—H...O, N—H...O, N—H...F and C—H...π interactions.

  15. Combined use of O3/H2O2 and O3/Mn2+ in flotation of dairy wastewater

    Directory of Open Access Journals (Sweden)

    Marta Cristina Silva Carvalho

    2018-05-01

    Full Text Available This work investigated the degradation of organic matter present in synthetic dairy wastewater by the combination of ozonation (ozone (O3/hydrogen peroxide (H2O2 and catalytic ozonation (ozone (O3/manganese (Mn2+ associated with dispersed air flotation process. The effect of independent factors such as O3 concentration, pH and H2O2 and Mn2+ concentration was evaluated. For the flotation/O3/H2O2 treatment, the significant variables (p ≤ 0.05 were: O3 concentration (linear and quadratic effect, H2O2 concentration linear and quadratic effect, pH values (linear and quadratic effect and interaction O3 concentration versus pH. For catalytic ozonation, it was observed that the significant variable was the linear effect of O3 concentration. According to the desirability function, it was concluded that the optimal condition for the treatment of flotation/O3/H2O2 can be obtained in acidic solution using O3 concentrations greater than 42.9 mg L-1 combined with higher concentrations of H2O2 to 1071.5 mg L-1. On other hand, at pH values higher than 9.0, the addition of O3 may be neglected when using higher concentrations than 1071.5 mg L-1 of H2O2. For flotation/ozonation catalyzed by Mn2+, it was observed that metal addition did not affect treatment, resulting in an optimum condition: 53.8 mg L-1 of O3 and pH 3.6.

  16. Mononuclear, trinuclear, and hetero-trinuclear supramolecular complexes containing a new tri-sulfonate ligand and cobalt(II)/copper(II)-(1, 10-phenanthroline)(2) building blocks

    NARCIS (Netherlands)

    Yu, Yunfang; Wei, Yongqin; Broer, Ria; Sa, Rongjian; Wu, Kechen

    Novel mononuclear, trinuclear, and hetero-trinuclear supermolecular complexes, [Co(phen)(2)(H2O)(HTST)] center dot 2H(2)O (1), [CO3(phen)(6) (H2O)(2)(TST)(2)]center dot 7H(2)O (2), and [CO2Cu(phen)(6)(H2O)(2)(TST)(2)]center dot 10H(2)O (3), have been synthesized by the reactions of a new

  17. Bulk Kosterlitz-Thouless Type Molecular Superconductor β″-(BEDT-TTF)2[(H2O)(NH4)2Cr(C2O4)3]·18-crown-6.

    Science.gov (United States)

    Martin, Lee; Lopez, Jordan R; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku

    2017-11-20

    A new molecular superconductor, β″-(BEDT-TTF) 2 [(H 2 O)(NH 4 ) 2 Cr(C 2 O 4 ) 3 ]·18-crown-6, has been synthesized from the organic donor molecule BEDT-TTF with the anion Cr(C 2 O 4 ) 3 3- . The crystal structure consists of conducting organic layers of BEDT-TTF molecules which adopt the β″ packing motif (layer A), layers of NH 4 + and Λ-Cr(C 2 O 4 ) 3 3- (layer B), layers of (H 2 O)(NH 4 )18-crown-6 (layer C), and layers of NH 4 + and Δ-Cr(C 2 O 4 ) 3 3- (layer D) which produce a superstructure with a repeating pattern of ABCDABCDA. As a result of this packing arrangement, this is the 2D superconductor with the widest gap between conducting layers where only a single donor packing motif is present (β″). Superconducting critical temperatures at ambient pressure observed by electrical transport and magnetic measurements are 4.0-4.9 and 2.5 K, respectively. The strong 2D nature of this system, the broad transition to T zero at 1.8K, and the transition of α of V ∝ I α from 1 to 3 on I-V curves strongly suggest that the superconducting transition is very close to a Kosterlitz-Thouless transition. The magnetic field dependence of the superconducting critical temperature parallel to the conducting plane gives an upper critical field μ 0 H c2∥ > 8 T, which is over the calculated Pauli-Clogston limit for this material.

  18. Development of Cu and Ni catalysts supported on ZrO{sub 2} for the generation of H{sub 2} by means of the reaction of reformed methanol in atmosphere oxidizer; Desarrollo de catalizadores de Cu y Ni soportados en ZrO{sub 2} para la generacion de H{sub 2} mediante la reaccion de reformado de metanol en atmosfera oxidante

    Energy Technology Data Exchange (ETDEWEB)

    Lopez C, P.

    2012-07-01

    ZrO{sub 2} was prepared by the sol-gel method and calcined at 450 C. The prepared zirconia was impregnated with an aqueous solution of Cu(CH{sub 3}CO{sub 2}){sub 2}{center_dot}H{sub 2}O or NiNO{sub 3}{center_dot}6H{sub 2}O at an appropriate concentration to yield 3 wt % of copper or nickel, respectively, in the mono metallic catalysts. Three bimetallic samples were prepared at 80% Cu and 20% Ni respectively to obtain 3 wt % of total metallic phase. Surface area of the Cu-Ni base catalysts supported on ZrO{sub 2} oxide showed differences as a function of the metal addition. Between them, the Cu/ZrO{sub 2} catalyst had the lowest surface area than other catalysts. X-ray diffraction patterns of the bimetallic catalysts did not show diffraction peaks of the Cu, Ni or bimetallic Cu-Ni alloys. In addition, TPR profiles of the bimetallic catalysts had the lowest reduction temperature compared with the mono metallic samples. The reactivity of the catalysts in the range of 250-350 C showed that the samples prepared by successive impregnation had the highest catalytic activity than the other catalysts studied. Also the selectivity for H{sub 2} production was higher for these catalysts. This finding was associated to the presence of the bimetallic Cu-Ni nanoparticles, as was evidenced by Tem-EDX analysis. (Author)

  19. Interconnected TiO2 Nanowire Networks for PbS Quantum Dot Solar Cell Applications

    Directory of Open Access Journals (Sweden)

    Fan Xu

    2012-01-01

    Full Text Available We present a simple method for the fabrication of an interconnected porous TiO2 nanostructured film via dip coating in a colloidal suspension of ultrathin TiO2 nanowires followed by high-temperature annealing. The spheroidization of the nanowires and the fusing of the loosely packed nanowire films at the contact points lead to the formation of nanopores. Using this interconnected TiO2 nanowire network for electron transport, a PbS/TiO2 heterojunction solar cell with a large short-circuit current of 2.5 mA/cm2, a Voc of 0.6 V, and a power conversion efficiency of 5.4% is achieved under 8.5 mW/cm2 white light illumination. Compared to conventional planar TiO2 film structures, these results suggest superior electron transport properties while still providing the large interfacial area between PbS quantum dots and TiO2 required for efficient exciton dissociation.

  20. H2-H2O-HI Hydrogen Separation in H2-H2O-HI Gaseous Mixture Using the Silica Membrane

    International Nuclear Information System (INIS)

    Pandiangan, Tumpal

    2002-01-01

    It was evaluated aiming at the application for hydrogen iodide decomposition in the thermochemical lS process. Porous alumina tube having pore size of 0.1 μm was modified by chemical vapor deposition using tetraethoxysilane. The permeance single gas of He, H 2 , and N 2 was measured at 300-600 o C. Hydrogen permeance of the modified membrane at a permeation temperature of 600 o C was about 5.22 x 10 -08 mol/Pa m 2 s, and 3.2 x 10 -09 of using gas mixture of H 2 -H 2 O-HI, where as HI permeances was below 1 x 10 -10 mol/Pa m 2 s. The Hydrogen permeance relative was not changed after 25 hours exposure in a mixture of H 2 -H 2 O-HI gas at the temperature of 450 o C. (author)

  1. Carbon Dots/NiCo2 O4 Nanocomposites with Various Morphologies for High Performance Supercapacitors.

    Science.gov (United States)

    Wei, Ji-Shi; Ding, Hui; Zhang, Peng; Song, Yan-Fang; Chen, Jie; Wang, Yong-Gang; Xiong, Huan-Ming

    2016-11-01

    A series of carbon dots/NiCo 2 O 4 composites with various morphologies are prepared and tested for supercapacitors. These samples have good electrical conductivities and efficient ions transport paths, so they exhibit high specific capacitances, superior rate performances, and high cycling stabilities. The optimal composite for hybrid supercapacitor exhibits a high energy density up to 62.0 Wh kg -1 . © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. The investigation of adsorption and dissociation of H2O on Li2O (111) by ab initio theory

    Science.gov (United States)

    Kong, Xianggang; Yu, You; Ma, Shenggui; Gao, Tao; Lu, Tiecheng; Xiao, Chengjian; Chen, Xiaojun; Zhang, Chuanyu

    2017-06-01

    The adsorption and dissociation mechanism of H2O molecule on the Li2O (111) surface have been systematically studied by using the density functional theory calculations. The parallel and vertical configurations of H2O at six different symmetry adsorption sites on the Li2O (111) surface are considered. In our calculations, it is suggested that H2O can dissociate on the perfect Li2O surface, of which the corresponding adsorption energy is 1.118 eV. And the adsorption energy decrease to be 0.241 eV when oxygen atom of H2O bonds to lithium atom of the slab. The final configurations are sensitive to the initial molecular orientation. By Bader charge analysis, the charge transfer from slab to adsorbed H2O/OH can be found due to the downward shift of lowest-unoccupied molecular orbital. We also analyze the vibrational frequencies at the Brillouin Zone centre for H2O molecule adsorbed on the stoichiometric surface. Due to the slightly different structure parameters, the calculated values of the vibrational frequencies of hydroxyl group range from 3824 to 3767 cm-1. Our results agree well with experimental results performed in FT-IR spectrum, which showed that an absorption peak of OH group appeared at 3677 cm-1 at room temperature.

  3. Ferrous ion oxidations by ·H, ·OH and H2O2 in aerated FBX dosimetry system

    International Nuclear Information System (INIS)

    Gupta, B.L.; Nilekani, S.R.

    1998-01-01

    In the ferrous ion, benzoic acid and xylenol orange (FBX) dosimetric system, benzoic acid (BA) increases the G(Fe 3+ ) value. Xylenol orange (XO) controls the BA sensitized chain reaction as well as forms a complex with Fe 3+ . In the aerated FBX system each ·H, ·OH and H 2 O 2 oxidizes 8.5, 6.6 and 7.6 Fe 2+ ions, respectively; and these values respectively increase to 11.3, 7.6 and 8.6 in oxygenated solution. About 8% ·OH reacts with XO and the remaining with BA. The above fractional values are due to this competition. This ·OH reaction with XO oxidizes 1.8% and 2.1% ferrous ions only in aerated and oxygenated solutions, respectively. There is a competition between ·H reactions with O 2 and with BA, but both lead to the production of H 2 O 2 . The oxidation of Fe 2+ by ·OH reactions at different concentrations of H 2 O 2 is linear with absorbed dose while the ·H reactions make the oxidation of Fe 2+ non-linear with dose. This is due to competition reaction of H-adduct of BA between O 2 and Fe 3+

  4. Sensitizing effects of ZnO quantum dots on red-emitting Pr3+-doped SiO2 phosphor

    CSIR Research Space (South Africa)

    Mbule, PS

    2012-05-01

    Full Text Available In this study, red cathodoluminescence (CL) ( emission=614 nm) was observed from Pr3+ ions in a glassy (amorphous) SiO2 host. This emission was enhanced considerably when ZnO quantum dots (QDs) were incorporated in the SiO2:Pr3+ suggesting...

  5. A novel layered bimetallic phosphite intercalating with organic amines: Synthesis and characterization of Co(H2O)4Zn4(HPO3)6.C2N2H1

    International Nuclear Information System (INIS)

    Lin Zhien; Fan Wei; Gao Feifei; Chino, Naotaka; Yokoi, Toshiyuki; Okubo, Tatsuya

    2006-01-01

    A new layered cobalt-zinc phosphite, Co(H 2 O) 4 Zn 4 (HPO 3 ) 6 .C 2 N 2 H 1 has been synthesized in the presence of ethylenediamine as the structure-directing agent. The compound crystallizes in the monoclinic system, space group Cc (No. 9), a=18.2090(8), b=9.9264(7), c=15.4080(7) A, β=114.098(4) o , V=2542.3(2) A 3 , Z=4, R=0.0323, wR=0.0846. The structure consists of ZnO 4 tetrahedra, CoO 6 octahedra and HPO 3 pseudopyramids through their vertices forming bimetallic phosphite layers parallel to the ab plane. Organic cations, which reside between the inorganic layers, are mobile and can be exchanged by NH 4 + cations without the collapse of the framework

  6. Thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap semiconductors SiC, GaN, and ZnO

    Directory of Open Access Journals (Sweden)

    Zheng Huang

    2015-09-01

    Full Text Available We have investigated the thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap(n-type semiconductors SiC, GaN, and ZnO based on first-principles calculations and Boltzmann transport theory. Our results show that the thermoelectric performance increases from 3C to 6H, 4H, and 2H structures with an increase of hexagonality for SiC. However, for GaN and ZnO, their power factors show a very weak dependence on the polytype. Detailed analysis of the thermoelectric properties with respect to temperature and carrier concentration of 4H-SiC, 2H-GaN, and 2H-ZnO shows that the figure of merit of these three compounds increases with temperature, indicating the promising potential applications of these thermoelectric materials at high temperature. The significant difference of the polytype-dependent thermoelectric properties among SiC, GaN, and ZnO might be related to the competition between covalency and ionicity in these semiconductors. Our calculations may provide a new way to enhance the thermoelectric properties of wide-band-gap semiconductors through atomic structure design, especially hexagonality design for SiC.

  7. Nuclear resonant scattering evidence of the phase co-existence during structural phase transformation in [Fe(H{sub 2}O){sub 6}](ClO{sub 4}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Vanko, Gy. [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble (France); Research Group for Nuclear Techniques in Structural Chemistry, Hungarian Academy of Sciences at Eoetvoes L. University, P.O. Box 32, H-1518 Budapest (Hungary); Bottyan, L. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Deak, L. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Fetzer, Cs. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Juhasz, G. [Department of Nuclear Chemistry, Eoetvoes L. University, P.O. Box 32, H-1518 Budapest (Hungary); Leupold, O. [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble (France); Institut fuer Experimentalphysik, Universitaet Hamburg, Luruper Chaussee 149, D-22761 Hamburg (Germany); Molnar, B. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Rueter, H.D. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Szilagyi, E. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Nagy, D.L. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary)]. E-mail: nagy@rmki.kfki.hu

    2005-09-29

    The phase transition associated with orbital-ground-state inversion of high-spin Fe{sup 2+} in [Fe(H{sub 2}O){sub 6}](ClO{sub 4}){sub 2} was studied with nuclear resonant forward scattering of synchrotron radiation (SR). The sudden change in the {sup 57}Fe{sup 2+} quadrupole interaction results in a change of the quantum-beat frequencies. Quantum-beat patterns taken at the phase transition of [Fe(H{sub 2}O){sub 6}](ClO{sub 4}){sub 2} are in accordance with mainly coherent rather than with incoherent sums of the scattering amplitudes of the high- and low-quadrupole-interaction phases, a fact supporting the real co-existence of the two phases.

  8. Plasmon-resonance-enhanced visible-light photocatalytic activity of Ag quantum dots/TiO2 microspheres for methyl orange degradation

    Science.gov (United States)

    Yu, Xin; Shang, Liwei; Wang, Dongjun; An, Li; Li, Zhonghua; Liu, Jiawen; Shen, Jun

    2018-06-01

    We successfully prepared Ag quantum dots modified TiO2 microspheres by facile solvothermal and calcination method. The as-prepared Ag quantum dots/TiO2 microspheres were characterized by scanning electron microscope, transmission electron microscope, X-ray diffraction, X-ray photoelectron spectroscopy and UV-vis diffuse reflectance spectroscopy. The Ag quantum dots/TiO2 photocatalyst showed excellent visible light absorption and efficient photocatalytic activity for methyl orange degradation. And the sample with the molar ratio of 0.05 (Ag to Ti) showed the best visible light photocatalytic activity for methyl orange degradation, mainly because of the surface plasmon resonance (SPR) effects of Ag quantum dots to generate electron and hole pairs for enhanced visible light photocatalysis. Finally, possible visible light photocatalytic mechanism of Ag quantum dots/TiO2 microspheres for methyl orange degradation was proposed in detail.

  9. Thermally activated 3D to 2D structural transformation of [Ni2(en)2(H2O)6(pyr)]·4H2O flexible coordination polymer

    International Nuclear Information System (INIS)

    Begović, Nebojša N.; Blagojević, Vladimir A.; Ostojić, Sanja B.; Radulović, Aleksandra M.; Poleti, Dejan; Minić, Dragica M.

    2015-01-01

    Thermally activated 3D to 2D structural transformation of the binuclear [Ni 2 (en) 2 (H 2 O) 6 (pyr)]·4H 2 O complex was investigated using a combination of theoretical and experimental methods. Step-wise thermal degradation (dehydration followed by release of ethylene diamine) results in two layered flexible coordination polymer structures. Dehydration process around 365 K results in a conjugated 2D structure with weak interlayer connectivity. It was shown to be a reversible 3D to 2D framework transformation by a guest molecule, and rehydration of the dehydration product occurs at room temperature in saturated water vapor. Rehydrated complex exhibits lower dehydration temperature, due to decreased average crystalline size, with higher surface area resulting in easier release and diffusion of water during dehydration. Thermal degradation of dehydration around 570 K, results in loss of ethylene diamine, producing a related 2D layered polymer structure, without interconnectivity between individual polymer layers. - Highlights: • Reversible 3D to 2D framework topochemical transformation on dehydration around 365 K. • Resulting polymer exhibits 2D layered structure with weak interlayer connectivity. • Dehydration is fully reversible in saturated water vapor at room temperature. • Further degradation around 570 K yields 2D polymer without interlayer connectivity. • 2D polymer exhibits conjugated electronic system

  10. Theoretical study of [Li(H2O)n]+ and [K(H2O)n]+ (n = 1-4) complexes

    International Nuclear Information System (INIS)

    Wojcik, M.J.; Mains, G.J.; Devlin, J.P.

    1995-01-01

    The geometries, successive binding energies, vibrational frequencies, and infrared intensities are calculated for the [Li(H 2 O) n ] + and [K(H 2 O) n ] + (n = 1-4) complexes. The basis sets used are 6-31G * and LANL1DZ (Los Alamos ECP+DZ) at the SCF and MP2 levels. There is an agreement for calculated structures and frequencies between the MP2/6-31G * and MP2/LANL1DZ basis sets, which indicates that the latter can be used for calculations of water complexes with heavier ions. Our results are in a reasonable agreement with available experimental data and facilitate experimental study of these complexes. 19 refs., 4 figs., 6 tabs

  11. Separating NaCl and AlCl3·6H2O Crystals from Acidic Solution Assisted by the Non-Equilibrium Phase Diagram of AlCl3-NaCl-H2O(-HCl Salt-Water System at 353.15 K

    Directory of Open Access Journals (Sweden)

    Huaigang Cheng

    2017-08-01

    Full Text Available Extracting AlCl3·6H2O from acid leaching solution through crystallization is one of the key processes to extracting aluminum from fly ash, coal gangue and other industrial solid wastes. However, the obtained products usually have low purity and a key problem is the lack of accurate data for phase equilibrium. This paper presented the non-equilibrium phase diagrams of AlCl3-NaCl-H2O (HCl salt-water systems under continuous heating and evaporation conditions, which were the main components of the acid leaching solution obtained through a sodium-assisted activation hydrochloric acid leaching process. The ternary system was of a simple eutonic type under different acidities. There were three crystalline regions; the crystalline regions of AlCl3·6H2O, NaCl and the mixture AlCl3·6H2O/NaCl, respectively. The phase diagram was used to optimize the crystallization process of AlCl3·6H2O and NaCl. A process was designed to evaporate and remove NaCl at the first stage of the evaporation process, and then continue to evaporate and crystallize AlCl3·6H2O after solid-liquid separation. The purities of the final salt products were 99.12% for NaCl and up to 97.35% for AlCl3·6H2O, respectively.

  12. Reorientations in [Mg(H2O)6](CLO4)2 studied by the proton magnetic resonance and the quasielastic neutron scattering methods

    International Nuclear Information System (INIS)

    Svare, I.; Fimland, B.O.; Janik, J.A.; Janik, J.M.; Mikuli, E.; Migdal-Mikuli, A.

    1980-01-01

    Proton magnetic relaxation measurements carried out for [Mg(H 2 O)XL6](CLO 4 ) 2 revealed two processes responsible for T 1 vs temperature dependence: one connected with H 2 O 180deg flips about the symmetry axes and second connected with a tumbling of the complex cation. Quasielastic neutron scattering measurements gave another evidence of H 2 O 180deg flips. The reorientational corelation times, which in the 273 K - 325 K region are of the order of picoseconds, as derived from NMR coincide perfectly well with those derived from QNS. (author)

  13. (Solid + liquid) phase equilibria of (Ca(H2PO2)2 + CaCl2 + H2O) and (Ca(H2PO2)2 + NaH2PO2 + H2O) ternary systems at T = 323.15 K

    International Nuclear Information System (INIS)

    Cao, Hong-yu; Zhou, Huan; Bai, Xiao-qin; Ma, Ruo-xin; Tan, Li-na; Wang, Jun-min

    2016-01-01

    Graphical abstract: Solubility diagram of the (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) system at T = (323.15 and 298.15) K. - Highlights: • Phase diagrams of Ca 2+ -H 2 PO 2 − -Cl − -H 2 O, Ca 2+ -Na + -H 2 PO 2 − -H 2 O at 323.15 K were obtained. • Incompatible double salt of NaCa(H 2 PO 2 ) 3 in Ca 2+ -Na + -H 2 PO 2 − -H 2 O system was determined. • Density diagram of the corresponding liquid were simultaneously measured. - Abstract: Calcium hypophosphite has been widely used as an anti-corrosive agent, flame retardant, fertilizer, assistant for Ni electroless plating, and animal nutritional supplement. High purity calcium hypophosphite can be synthesized via the replacement reaction of sodium hypophosphite and calcium chloride. In this work, the (solid + liquid) phase equilibria of (Ca(H 2 PO 2 ) 2 + CaCl 2 + H 2 O) and (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) ternary systems at T = 323.15 K were studied experimentally via the classical isothermal solubility equilibrium method, and the phase diagrams for these two systems were obtained. It was found that two solid salts of CaCl 2 ·2H 2 O and Ca(H 2 PO 2 ) 2 exist in the (Ca(H 2 PO 2 ) 2 + CaCl 2 + H 2 O) system, and three salts of Ca(H 2 PO 2 ) 2 , NaH 2 PO 2 ·H 2 O and one incompatible double salt, NaCa(H 2 PO 2 ) 3 occur in the (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) system.

  14. Tamarix gallica phenolics protect IEC-6 cells against H2O2 induced stress by restricting oxidative injuries and MAPKs signaling pathways.

    Science.gov (United States)

    Bettaib, Jamila; Talarmin, Hélène; Droguet, Mickaël; Magné, Christian; Boulaaba, Mondher; Giroux-Metges, Marie-Agnès; Ksouri, Riadh

    2017-05-01

    Polyphenolic compounds gained interest in the pharmaceutical research area due to their beneficial properties. Herein, antioxidant and cytoprotective capacities of T. gallica extract on H 2 O 2 -challenged rat small intestine epithelial cells were investigated. To set stress conditions, IEC-6 cultures were challenged with numerous H 2 O 2 doses and durations. Then, 40μM H 2 O 2 during 4h were selected to assess the cytoprotective effect of different T. gallica extract concentrations. Oxidative parameters, measured through CAT and SOD activities as well as MDA quantification were assessed. In addition, the expression of possibly involved MAPKs was also valued. Main results reported that T. gallica was rich in polyphenols and exhibited an important antioxidant activity (DPPH Assay, IC 50 =6μgmL -1 ; ABTS + test, IC 50 =50μgmL -1 ; Fe-reducing power, EC 50 =100μgmL -1 ). The exposure of IEC-6 cultures to 40μM H 2 O 2 during 4h caused oxidative stress manifested by (i) over 70% cell mortality, (ii) over-activity of CAT (246%), (iii) excess in MDA content (18.4nmolmg -1 ) and (iiii) a trigger of JNK phosphorylation. Pretreatment with T. gallica extract, especially when used at 0.25μgmL -1 , restored cell viability to 122%, and normal cell morphology in H 2 O 2 -chalenged cells. In addition, this extract normalized CAT activity and MDA content (100% and 14.7nmolmg -1 , respectively) to their basal levels as compared to control cells. Furthermore, stopping cell death seems to be due to dephosphorylated JNK MAPK exerted by T. gallica bioactive compounds. In all, T. gallica components provided a cross-talk between regulatory pathways leading to an efficient cytoprotection against harmful oxidative stimulus. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  15. Synthesis, structural characterization, and dehydration analysis of uranyl zinc mellitate, (UO{sub 2})Zn(H{sub 2}O){sub 4}(H{sub 2}mel).2H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Olchowka, Jakub; Volkringer, Christophe; Henry, Natacha; Loiseau, Thierry [Unite de Catalyse et Chimie du Solide (UCCS) - UMR CNRS 8181, Universite de Lille Nord de France, USTL-ENSCL, Villeneuve d' Ascq (France)

    2013-04-15

    A new heterometallic uranyl zinc carboxylate, (UO{sub 2})Zn(H{sub 2}O){sub 4}(H{sub 2}mel).2H{sub 2}O, has been hydrothermally prepared (150 C, 24 h) by using 1,2,3,4,5,6-benzenehexacarboxylic acid (mellitic acid) as organic linker in order to form a three-dimensional network. Four of the six carboxylate groups of the mellitate ligand interact with mononuclear uranyl or zinc cations, which are eightfold (hexagonal bipyramid, UO{sub 8}) or sixfold [octahedron, ZnO{sub 2}(H{sub 2}O){sub 4}] coordinated, respectively. The remaining free carboxylate arms of the mellitate species preferentially interact through hydrogen bonds with water molecules trapped within the framework. Thermogravimetric and X-ray thermodiffraction (up to 800 C) analyses and in situ infrared spectroscopy (up to 210 C) indicated that both free and bound water species are evacuated from the structure in one step between 80 and 170 C, followed by its transformation into an unknown, anhydrous, poorly crystalline phase [UO{sub 2}Zn(mel)] up to 320 C. After the formation of an amorphous phase, the re-crystallization of oxides α-ZnU{sub 3}O{sub 10} and ZnO was observed from 460 C. The fluorescence spectrum of the as-synthesized uranyl zinc mellitate shows the six bands that are typical for vibronic couplings of the [O=U=O]{sup 2+} moiety. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Hydrothermal synthesis and crystal structures of new uranyl oxalate hydroxides: α- and β-[(UO2)2(C2O4)(OH)2(H2O)2] and [(UO2)2(C2O4)(OH)2(H2O)2].H2O

    International Nuclear Information System (INIS)

    Duvieubourg, Laurence; Nowogrocki, Guy; Abraham, Francis; Grandjean, Stephane

    2005-01-01

    Two modifications of the new uranyl oxalate hydroxide dihydrate [UO 2 ) 2 (C 2 O 4 )(OH) 2 (H 2 O) 2 ] (1 and 2) and one form of the new uranyl oxalate hydroxide trihydrate [(UO 2 ) 2 (C 2 O 4 )(OH) 2 (H 2 O) 2 ].H 2 O (3) were synthesized by hydrothermal methods and their structures determined from single-crystal X-ray diffraction data. The crystal structures were refined by full-matrix least-squares methods to agreement indices R(wR)=0.0372(0.0842) and 0.0267(0.0671) calculated for 1096 and 1167 unique observed reflections (I>2σ(I)), for α (1) and β (2) forms, respectively and to R(wR)=0.0301(0.0737) calculated for 2471 unique observed reflections (I>2σ(I)), for 3. The α-form of the dihydrate is triclinic, space group P1-bar , Z=1, a=6.097(2), b=5.548(2), c=7.806(3)A, α=89.353(5), β=94.387(5), γ=97.646(5) o , V=260.88(15)A 3 , β-form is monoclinic, space group C2/c, Z=4, a=12.180(3), b=8.223(2), c=10.777(3)A, β=95.817(4), V=1073.8(5)A 3 . The trihydrate is monoclinic, space group P2 1 /c, Z=4, a=5.5095(12), b=15.195(3), c=13.398(3)A, β=93.927(3), V=1119.0(4)A 3 . In the three structures, the coordination of uranium atom is a pentagonal bipyramid composed of dioxo UO 2 2+ cation perpendicular to five equatorial oxygen atoms belonging to one bidentate oxalate ion, one water molecule and two hydroxyl ions in trans configuration in 2 and in cis configuration in 1 and 3. The UO 7 polyhedra are linked through hydroxyl oxygen atoms to form different structural building units, dimers [U 2 O 10 ] obtained by edge-sharing in 1, chains [UO 6 ] ∼ and tetramers [U 4 O 26 ] built by corner-sharing in 2 and 3, respectively. These units are further connected by oxalate entities that act as bis-bidentate to form one-dimensional chains in 1 and bi-dimensional network in 2 and 3. These chains or layers are connected in frameworks by hydrogen-bond arrays

  17. Synthesis, crystal structures, and characterization of double complex salts [Au(en)2][Rh(NO2)62H2O and [Au(en)2][Rh(NO2)6

    Science.gov (United States)

    Plyusnin, Pavel E.; Makotchenko, Evgenia V.; Shubin, Yury V.; Baidina, Iraida A.; Korolkov, Ilya V.; Sheludyakova, Liliya A.; Korenev, Sergey V.

    2015-11-01

    Double complex salts of rhodium(III) and gold(III) of the composition [Au(en)2][Rh(NO2)62H2O (1) and [Au(en)2][Rh(NO2)6] (2) have been prepared. Crystal structures of the compounds have been determined by single crystal X-ray diffraction. The compounds have been characterized by PXRD, IR, far-IR, CHN and DTA. The complexes have a layered structures. The presence of water in 1 makes the structure of the hydrated DCS less dense as compared to the anhydrous one. The environment of the cation and the anion in the two structures is the same, oxygen atoms of the nitro groups are involved in hydrogen bonds N-H⋯O, N⋯O distances being approximately the same. The structures of 1 and 2 are notable in having shortened contacts between the gold atoms and the oxygen atoms of the nitro groups of the neighboring complex anions. The thermal behavior of the complexes in a hydrogen atmosphere was investigated. The final product of thermolysis prepared at the temperature 600°C is a two-phase mixture of pure metallic gold and the solid solution Rh0.93Au0.07.

  18. Volume properties and refraction of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids lysine, threonine, and oxyproline (C60(C6H13N2O2)2, C60(C4H8NO3)2, and C60(C5H9NO2)2) at 25°C

    Science.gov (United States)

    Semenov, K. N.; Ivanova, N. M.; Charykov, N. A.; Keskinov, V. A.; Kalacheva, S. S.; Duryagina, N. N.; Garamova, P. V.; Kulenova, N. A.; Nabieva, A.

    2017-02-01

    Concentration dependences of the density of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids are studied by pycnometry. Concentration dependences of the average molar volumes and partial volumes of components (H2O and corresponding bisadducts) are calculated for C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems at 25°C. Concentration dependences of the indices of refraction of C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems are determined at 25°C. The concentration dependences of specific refraction and molar refraction of bisadducts and aqueous solutions of them are calculated.

  19. [Zn(phen)(O,N,O)(H2O)] and [Zn(phen)(O,N)(H2O)] with O,N,O is 2,6-dipicolinate and N,O is L-threoninate: synthesis, characterization, and biomedical properties.

    Science.gov (United States)

    Chin, Lee-Fang; Kong, Siew-Ming; Seng, Hoi-Ling; Tiong, Yee-Lian; Neo, Kian-Eang; Maah, Mohd Jamil; Khoo, Alan Soo-Beng; Ahmad, Munirah; Hor, Tzi-Sum Andy; Lee, Hong-Boon; San, Swee-Lan; Chye, Soi-Moi; Ng, Chew-Hee

    2012-10-01

    Two ternary Zn(II) complexes, with 1,10-phenanthroline (phen) as the main ligand and a carboxylate-containing ligand [dipicolinate (dipico) or L-threoninate (L-Thr)] as the subsidiary ligand, were prepared and characterized by elemental analysis, Fourier transform IR, UV, and fluorescence spectroscopy, X-ray diffraction, molar conductivity, and electrospray ionization mass spectrometry. X-ray structure analysis shows that both [Zn(phen)(dipico)(H(2)O)]·H(2)O (1) and [Zn(phen)(L-Thr)(H(2)O)Cl]·2H(2)O (2) have octahedral geometry about the Zn(II) atom. Both complexes can inhibit topoisomerase I, and have better anticancer activity than cisplatin against nasopharyngeal cancer cell lines, HK1 and HONE-1, with concentrations causing 50 % inhibition of cell proliferation (IC(50)) in the low micromolar range. Complex 2 has the highest therapeutic index for HK1. Both Zn(II) complexes can induce cell death by apoptosis. Changing the subsidiary ligand in the Zn(II) complexes affects the UV-fluorescence spectral properties of the coordinated phen ligand, the binding affinity for some DNA sequences, nucleobase sequence-selective binding, the phase at which cell cycle progression was arrested for treated cancer cells, and their therapeutic index.

  20. DFT Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters

    Science.gov (United States)

    2017-10-31

    VC-nH2O for Small and Water-Dominated Molecular Clusters October 31, 2017 Approved for public release; distribution is unlimited. L. Huang S.g...Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters L. Huang,1 S.G...nH2O molecular clusters using density function theory (DFT). DFT can provide interpretation of absorption spectra with respect to molecular

  1. Preparation, Characterization, and Structure of Two Layered Molybdenum(VI) Phosphates: KMo(H 2O)O 2PO 4 and NH 4Mo(H 2O)O 2PO 4

    Science.gov (United States)

    Millini, Roberto; Carati, Angela

    1995-08-01

    New layered Mo(VI) compounds, KMo(H 2O)O 2PO 4 (I) and NH 4Mo(H 2O)O 2PO 4 (II), were synthesized hydrothermally and their structures were determined from single-crystal X-ray analysis. Compounds (I) and (II) are isostructural and crystallize in the monoclinic P2 1/ n space group with a = 12.353(3), b = 8.623(2), c = 5.841(1) Å, β = 102.78(1)°, V = 606.8(2) Å 3, Z = 4, and R = 0.027 ( Rw = 0.030) for compound (I) and a = 12.435(3), b = 8.761(2), c = 6.015(1), β = 103.45(1)°, V = 637.3(2) Å 3, Z = 4, and R = 0.040 ( Rw = 0.041) for compound (II). The structure consists of layers built up of eight- and four-membered rings resulting from the alternation of corner-sharing [MoO 6] octahedra and [PO 4] tetrahedra. The layers stack along the (1¯01) direction by intercalating K and NH 4 ions.

  2. The investigation of adsorption and dissociation of H2O on Li2O (111) by ab initio theory

    International Nuclear Information System (INIS)

    Kong, Xianggang; Yu, You; Ma, Shenggui; Gao, Tao; Lu, Tiecheng; Xiao, Chengjian; Chen, Xiaojun; Zhang, Chuanyu

    2017-01-01

    Highlights: • The adsorption structures of H 2 O on Li 2 O (111) are obtained by calculations. • By Bader charge analysis, the charge translation from slab to adsorbate is found. • The vibrational frequencies of adsorbate are in line with the experimental values. - Abstract: The adsorption and dissociation mechanism of H 2 O molecule on the Li 2 O (111) surface have been systematically studied by using the density functional theory calculations. The parallel and vertical configurations of H 2 O at six different symmetry adsorption sites on the Li 2 O (111) surface are considered. In our calculations, it is suggested that H 2 O can dissociate on the perfect Li 2 O surface, of which the corresponding adsorption energy is 1.118 eV. And the adsorption energy decrease to be 0.241 eV when oxygen atom of H 2 O bonds to lithium atom of the slab. The final configurations are sensitive to the initial molecular orientation. By Bader charge analysis, the charge transfer from slab to adsorbed H 2 O/OH can be found due to the downward shift of lowest-unoccupied molecular orbital. We also analyze the vibrational frequencies at the Brillouin Zone centre for H 2 O molecule adsorbed on the stoichiometric surface. Due to the slightly different structure parameters, the calculated values of the vibrational frequencies of hydroxyl group range from 3824 to 3767 cm −1 . Our results agree well with experimental results performed in FT-IR spectrum, which showed that an absorption peak of OH group appeared at 3677 cm −1 at room temperature.

  3. Redox reactions of 2-hydroxy-3-methoxybenzaldehyde (o-vanillin) in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Barik, A; Priyadarsini, K I; Mohan, Hari

    2004-08-01

    Pulse radiolysis technique has been employed to study the reactions of oxidizing ({sup {center_dot}}OH, N{sub 3}{sup {center_dot}}) and reducing radicals (e{sup -}{sub aq}, CO{sub 2}{sup {center_dot}}{sup -}, acetone ketyl radical) with 2-hydroxy-3-methoxybenzaldehyde (o-vanillin) at different pH. Hydroxyl radicals react mostly by addition reaction forming radical adducts ({lambda}{sub max}=420 nm) and the oxidation is only a minor process even in the alkaline region. The reaction with azide radicals produced phenoxyl radicals ({lambda}{sub max}=340 nm), which are formed on fast deprotonation of solute radical cation. Using PMZ{sup {center_dot}}{sup +}/PMZ and ABTS{sup {center_dot}}{sup -}/ABTS{sup 2-} as the reference couple, different methods are employed to determine the one-electron reduction potential of o-vanillin and the average value is estimated to be 1.076{+-}0.004 V vs. NHE at pH 6. The phenoxyl radicals of o-vanillin were able to oxidize ABTS{sup 2-} quantitatively. The e{sub aq}{sup -} is observed to react with o-vanillin with rate constant value of 2x10{sup 10} dm{sup 3} mol{sup -1} s{sup -1}. CO{sub 2}{sup {center_dot}}{sup -} and acetone ketyl radical are also observed to react with o-vanillin by electron transfer mechanism and showed the formation of transient absorption bands with {lambda}{sub max} at 350 and 390 nm at pH 4.5 and 9.7, respectively. The pK{sub a} of the one-electron reduced species was determined to be 8.1. The results indicate that the aldehydic group is the most preferred site for electron addition.

  4. Sr{sub 2}CoMoO{sub 6} anode for solid oxide fuel cell running on H{sub 2} and CH{sub 4} fuels

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ping [Engineering Research Center of Nano-GEO Materials of Education Ministry, China University of Geosciences, Wuhan 430074 (China); Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); Huang, Yun-Hui [Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); State Key Laboratory of Materials Processing and Die and Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan 430074 (China); Cheng, Jin-Guang; Goodenough, John B. [Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); Mao, Zong-Qiang [Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China)

    2011-02-15

    The double perovskite Sr{sub 2}CoMoO{sub 6-{delta}} was investigated as a candidate anode for a solid oxide fuel cell (SOFC). Thermogravimetric analysis (TGA) and powder X-ray diffraction (XRD) showed that the cation array is retained to 800 C in H{sub 2} atmosphere with the introduction of a limited concentration of oxide-ion vacancies. Stoichiometric Sr{sub 2}CoMoO{sub 6} has an antiferromagnetic Neel temperature T{sub N} {approx} 37 K, but after reduction in H{sub 2} at 800 C for 10 h, long-range magnetic order appears to set in above 300 K. In H{sub 2}, the electronic conductivity increases sharply with temperature in the interval 400 C < T < 500 C due to the onset of a loss of oxygen to make Sr{sub 2}CoMoO{sub 6-{delta}} a good mixed oxide-ion/electronic conductor (MIEC). With a 300-{mu}m-thick La{sub 0.8}Sr{sub 0.12}Ga{sub 0.83}Mg{sub 0.17}O{sub 2.815} (LSGM) as oxide-ion electrolyte and SrCo{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}} as the cathode, the Sr{sub 2}CoMoO{sub 6-{delta}} anode gave a maximum power density of 1017 mW cm{sup -2} in H{sub 2} and 634 mW cm{sup -2} in wet CH{sub 4}. A degradation of power in CH{sub 4} was observed, which could be attributed to coke build up observed by energy dispersive spectroscopy (EDS). (author)

  5. Improved transparent-conducting properties in N{sub 2{sup -}} and H{sub 2{sup -}} annealed GaZnO thin films grown on glass substrates

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Youngmin; Kim, Deukyoung; Lee, Sejoon [Dongguk University, Seoul (Korea, Republic of)

    2012-01-15

    The effects of N{sub 2{sup -}} and H{sub 2{sup -}} annealing on the transparent-conducting properties of Ga-doped ZnO (GaZnO) were examined. The as-grown GaZnO thin film, which was deposited on a soda-lime glass substrate by r.f. magnetron sputtering, exhibited moderate transparent-conducting properties: a resistivity of {approx}10{sup 0} {Omega}{center_dot}cm and an optical transmittance of {approx}86%. After annealing in N{sub 2} or H{sub 2}, the GaZnO samples showed great improvements in both the electrical and the optical properties. Particularly, in the H{sub 2}-annealed sample, a dramatic decrease in the resistivity (7 x 10{sup -4} {Omega}{center_dot}cm) with a considerable increase in the carrier concentration (4.22 x 10{sup 21} cm{sup -3}) was observed. This is attributed to both an increase in the number of Ga-O bonds and a reduction in the number of chemisorbed oxygen atoms though H{sub 2} annealing. The sample revealed an enhanced optical transmittance ({approx}91%), which comes from the Burstein-Moss effect. Namely, a blue-shift of the optical absorption edge, which results from the increased carrier concentration, was observed in the H{sub 2}-annealed sample. The results suggest that hydrogen annealing can help improve the transparent conducting properties of GaZnO via a modification of the electrochemical bonding structures.

  6. Removal of Organic Dyes from Industrial Wastewaters Using UV/H2O2, UV/H2O2/Fe (II, UV/H2O2/Fe (III Processes

    Directory of Open Access Journals (Sweden)

    Nezamaddin Daneshvar

    2007-03-01

    Full Text Available UV/H2O2, UV/H2O2/Fe (II and UV/H2O2/Fe (III processes are very effective in removing pollutants from wastewater and can be used for treatment of dyestuff units wastewaters. In this study, Rhodamine B was used as a typical organic dye. Rhodamine B has found wide applications in wax, leather, and paper industries. The results from this study showed that this dye was degradable in the presence of hydrogen peroxide under UV-C irradiation (30W mercury light and Photo-Fenton process. The dye was resistant to UV irradiation. In the absence of UV irradiation, the decolorization efficiency was very negligible in the presence of hydrogen. The effects of different system variables such as initial dye concentration, duration of UV irradiation, and initial hydrogen peroxide concentration were investigated in the UV/H2O2 process. Investigation of the kinetics of the UV/H2O2 process showed that the semi-log plot of the dye concentration versus time was linear, suggesting a first order reaction. It was found that Rhodamine B decolorization efficiencies in the UV/H2O2/Fe (II and UV/H2O2/Fe (III processes were higher than that in the UV/H2O2 process. Furthermore, a solution containing 20 ppm of Rhodamine B was decolorized in the presence 18 mM of H2O2 under UV irradiation for 15 minutes. It was also found that addition of 0.1 mM Fe(II or Fe(III to the solution containing  20  ppm of the dye and 5 mM H2O2 under UV light  illumination decreased removal time to 10 min.

  7. Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

    Science.gov (United States)

    Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

    1994-05-01

    Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

  8. Crystal structure of strontium aqua(ethylenediaminetetraacetato)cobaltate(II) tetrahydrate Sr[CoEdta(H2O)] · 4H2O

    International Nuclear Information System (INIS)

    Zasurskaya, L.A.; Polynova, T.N.; Polyakova, I.N.; Sergienko, V.S.; Poznyak, A.L.

    2001-01-01

    The complex Sr[Co II Edta] · 5H 2 O (I) (where Edta 4- is the ethylenediaminetetraacetate ion) has been synthesized. The crystal structure of this compound is determined by X-ray diffraction. Crystals are monoclinic, a = 7.906(2) A, b = 12.768(2) A, c = 18.254(3) A, β = 95.30(3) deg., V 1834.8 A 3 , space group P2 1 /n, Z = 4, and R = 0.036. The structure is built up of the binuclear complex fragments {Sr(H 2 O) 3 [CoEdta(H 2 O)]}, which consist of the anionic [CoEdta(H 2 O)] 2- and cationic [Sr(H 2 O) 3 ] 2+ units linked by the Sr-O bonds into a three-dimensional framework. The coordination polyhedra of the Co and Sr atoms are mono- and bicapped trigonal prisms. The coordination sphere of the Co atom (the coordination number is equal to 6 + 1) involves six donor atoms (2N and 4O) of the Edta 4- ligand and the O w atom of water molecule. One of the Co-O distances (2.718 A) is considerably longer than the other Co-O lig distances (2.092-2.190 A) and the Co-O w (1) distance (2.079 A). The Sr coordination polyhedron (the coordination number is eight) contains three water molecules, three carbonyl O atoms of the three different anionic complexes, and two O atoms of one acetate group of the fourth anionic complex. The Sr-O distances fall in the range 2.535-2.674 A. The structural formula of the compound is {Sr(H 2 O) 3 [CoEdta(H 2 O)]} 3∞ · H 2 O

  9. Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Kurten, T.; Enghoff, Martin Andreas Bødker

    2011-01-01

    that anionic O-2(-)(H2O)n and O-3(-)(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding....... Although clustering up to 12 H2O, we find that the O-2 and O-3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O-2(-) and O-3(-) speicies are thus accessible for further reactions. We consider the distributions of cluster sizes as function of altitude before...

  10. There-dimensional porous carbon network encapsulated SnO2 quantum dots as anode materials for high-rate lithium ion batteries

    International Nuclear Information System (INIS)

    Yang, Juan; Xi, Lihua; Tang, Jingjing; Chen, Feng; Wu, Lili; Zhou, Xiangyang

    2016-01-01

    SnO 2 quantum dots have attracted enormous interest, since they have been shown to effectively minimize the volume change stress, improve the anode kinetic and shorten the lithium ion migration distance when used as anode materials for lithium ion battery. In this work, we report a facile strategy to fabricate nanostructure with homogenous SnO 2 quantum dots anchored on three-dimensional (3D) nitrogen and sulfur dual-doped porous carbon (NSGC@SnO 2 ). Characterization results show that the obtained SnO 2 quantum dots have an average critical size of 3–5 nm and uniformly encapsulated in the porous of NSGC matrix. The as-designed nanostructure can effectively avoid the aggregation of SnO 2 quantum dots as well as accommodate the mechanical stress induced by the volume change of SnO 2 quantum dots and thus maintain the structure integrity of the electrode. As a result, the obtained NSGC@SnO 2 composite exhibits a specific reversible capacity as high as 1118 mAh g −1 at a current of 200 mA g −1 after 100 cycles along with a high coulombic efficiency of 98% and excellent rate capability.

  11. 5-[(3-Fluorophenyl(2-hydroxy-6-oxocyclohex-1-en-1-ylmethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H-dione

    Directory of Open Access Journals (Sweden)

    Assem Barakat

    2016-09-01

    Full Text Available 5-[(3-Fluorophenyl(2-hydroxy-6-oxocyclohex-1-en-1-yl-methyl]-6-hydroxy-1,3-di-methylpyrimidine-2,4(1H,3H-dione 3 was synthesized via a multicomponent reaction. The Aldol–Michael addition reactions of N,N-dimethylbarbituric acid, cyclohexane-1,3-dione, and 3-fluorobenzaldehyde in aqueous solution gave the product in high yield. The molecular structure of the compound was confirmed by spectroscopic methods and X-ray crystallography. The title compound (C19H19FN2OH2O crystallizes in the Monoclinic form, P21/c, a = 7.8630 (5 Å, b = 20.0308 (13 Å, c = 11.3987 (8 Å, β = 104.274 (3°, V = 1739.9 (2° Å3, Z = 4, Rint = 0.117, wR(F2 = 0.124, T = 100 K.

  12. Unprecedented connection mode of [V{sub 16}Sb{sub 4}O{sub 42}(H{sub 2}O)]{sup 8-} cluster anions by Mn{sup 2+} centered complexes. Solvothermal synthesis and properties of {[Mn(teta)]_4V_1_6Sb_4O_4_2(H_2O)}{sub n}.[(H{sub 2}O){sub 12}]{sub n}

    Energy Technology Data Exchange (ETDEWEB)

    Rasmussen, Maren; Naether, Christian; Bensch, Wolfgang [Institute of Inorganic Chemistry, Christian-Albrechts-University of Kiel (Germany); Leusen, Jan van; Koegerler, Paul [Institute of Inorganic Chemistry, RWTH Aachen University, Aachen (Germany)

    2017-11-17

    The new compound {[Mn(teta)]_4V_1_6Sb_4O_4_2}{sub n}.[(H{sub 2}O){sub 12}]{sub n} (teta = triethylenetetraamine) was synthesized under solvothermal conditions. The crystal structure features the high nuclearity [V{sub 16}{sup IV}Sb{sub 4}{sup III}O{sub 42}(H{sub 2}O)]{sup 8-} cluster anion, which consists of two rings composed of 8 edge-sharing VO{sub 5} polyhedra. The rings are perpendicular to each other generating four niches, which are occupied by two VO{sub 5} pyramids and two handle-like Sb{sub 2}O{sub 5} units. The two unique anions are each surrounded by eight Mn{sup 2+} centered complexes via Mn-O{sub term}-V bonds. Such an expansion has never been observed in heterometal polyoxovanadate chemistry. The connection mode between cluster anions and complex cations generates two individual layers stacked onto each other. Between the layers weak Sb..O contacts are observed. The crystal water molecules are mainly located in the empty space between the layers. Upon heating H{sub 2}O molecules are removed, while the crystal structure remains intact. The magnetic behavior is dominated by strong antiferromagnetic exchange interactions between the central V{sup 4+} ions, while the interaction between the cluster anion and central Mn{sup 2+} ions is significantly less pronounced. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Microwave-assisted synthesis of C-doped TiO2 and ZnO hybrid nanostructured materials as quantum-dots sensitized solar cells

    Science.gov (United States)

    Rangel-Mendez, Jose R.; Matos, Juan; Cházaro-Ruiz, Luis F.; González-Castillo, Ana C.; Barrios-Yáñez, Guillermo

    2018-03-01

    The microwave-assisted solvothermal synthesis of C-doped TiO2 and ZnO hybrid materials was performed. Saccharose, titanium isopropoxide and zinc acetate were used as organic and inorganic sources for the synthesis. The influence of temperature and reaction time on the textural and optoelectronic properties of the hybrid materials was verified. Carbon quantum-dots of TiO2 and ZnO nanostructured spheres were obtained in a second pot by controlled calcination steps of the precursor hybrid materials. A carefully characterization by adsorption-desorption N2 isotherms, XRD, XPS, SEM, UV-vis/DR and electro- and photo-electrochemistry properties of the carbon quantum-dots TiO2 and ZnO spheres was performed. The photoelectrochemical activity of TiO2-C and ZnO-C films proved to be dependent on the conditions of synthesis. It was found a red-shift in the energy band gap of the semiconductors with values of 3.02 eV and 3.13 eV for the TiO2-C and ZnO-C, respectively, clearly lower than those on bare semiconductors, which is associated with the C-doping effect. From the photo-electrochemistry characterization of C-doped TiO2 and ZnO films can be concluded that the present materials have potential applications as photoelectrodes for quantum-dots sensitized solar cells.

  14. rac-6-Hydroxy-4-(4-nitrophenyl-5-(2-thienylcarbonyl-6-(trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H-one monohydrate

    Directory of Open Access Journals (Sweden)

    Jian-Li Zhang

    2010-11-01

    Full Text Available The title compound, C16H12F3N3O5S·H2O, was prepared by reaction of 4-nitrobenzaldehyde, 4,4,4-trifluoro-1-(thiophen-2-ylbutane-1,3-dione and urea. The asymmetric unit contains two independent molecules, with essentially identical geometries and conformations. The dihydropyrimidine rings adopt a half-chair conformation. The dihedral angles between the benzene ring and the thiophene ring are 54.82 (8 and 58.72 (8° in the two molecules. The molecular conformation of one of the molecules is stabilized by two intramolecular O—H...O hydrogen bonds, generating an S(6 ring. The crystal structure is stabilized by intermolecular O—H...O and N—H...O hydrogen bonds.

  15. Synthesis of Nanoscale CaO-Al2O3-SiO2-H2O and Na2O-Al2O3-SiO2-H2O Using the Hydrothermal Method and Their Characterization

    Directory of Open Access Journals (Sweden)

    Jingbin Yang

    2017-06-01

    Full Text Available C-A-S-H (CaO-Al2O3-SiO2-H2O and N-A-S-H (Na2O-Al2O3-SiO2-H2O have a wide range of chemical compositions and structures and are difficult to separate from alkali-activated materials. Therefore, it is difficult to analyze their microscopic properties directly. This paper reports research on the synthesis of C-A-S-H and N-A-S-H particles with an average particle size smaller than 300 nm by applying the hydrothermal method. The composition and microstructure of the products with different CaO(Na2O/SiO2 ratios and curing conditions were characterized using XRD, the RIR method, FTIR, SEM, TEM, and laser particle size analysis. The results showed that the C-A-S-H system products with a low CaO/SiO2 ratio were mainly amorphous C-A-S-H gels. With an increase in the CaO/SiO2 ratio, an excess of Ca(OH2 was observed at room temperature, while in a high-temperature reaction system, katoite, C4AcH11, and other crystallized products were observed. The katoite content was related to the curing temperature and the content of Ca(OH2 and it tended to form at a high-temperature and high-calcium environment, and an increase in the temperature renders the C-A-S-H gels more compact. The main products of the N-A-S-H system at room temperature were amorphous N-A-S-H gels and a small amount of sodalite. An increase in the curing temperature promoted the formation of the crystalline products faujasite and zeolite-P. The crystallization products consisted of only zeolite-P in the high-temperature N-A-S-H system and its content were stable above 70%. An increase in the Na2O/SiO2 ratio resulted in more non-bridging oxygen and the TO4 was more isolated in the N-A-S-H structure. The composition and microstructure of the C-A-S-H and N-A-S-H system products synthesized by the hydrothermal method were closely related to the ratio of the raw materials and the curing conditions. The results of this study increase our understanding of the hydration products of alkali

  16. Hydrated aluminophosphate (AlPO/sub 4/. 1. 5H/sub 2/O) with PO/sub 4/, AlO/sub 4/ and AlO/sub 4/(H/sub 2/O)/sub 2/ groups and encapsulated water

    Energy Technology Data Exchange (ETDEWEB)

    Pluth, J.J.; Smith, J.V.

    1986-09-15

    Aluminium phosphate hydrate, AlPO/sub 4/ /sub ./ 1.5H/sub 2/O, M/sub r/=148.98, orthorhombic, Pbca, a=19.3525(13), b=9.7272(7), c=9.7621(8) A, V=1837.7(1) A/sup 3/, Z=16, D/sub x/=2.15 g cm/sup -3/, lambda(CuK..cap alpha..)=1.5418 A, ..mu..=68.2 cm/sup -1/, F(000)=1200, Tproportional to 295 K, R=0.033 for 1530 diffractions. A 4-connected framework contains PO/sub 4/ tetrahedra interposed between AlO/sub 4/ tetrahedra and AlO/sub 4/(H/sub 2/O)/sub 2/ octahedra at the nodes of cross-linked alternate 6/sup 3/ and 4.8/sup 2/ nets. A two-dimensional channel system, limited by 8-rings, lies between adjacent 6/sup 3/ nets. One H/sub 2/O of each octahedron lies in a 6-ring, and the other forms a continuous chain with a third H/sub 2/O which is held in place only by hydrogen bonds.

  17. Tunable diode laser measurements of air-broadened linewidths in the nu6 band of H2O2

    Science.gov (United States)

    Malathy Devi, V.; Benner, D. C.; Rinsland, C. P.; Smith, M. A. H.; Fridovich, B.

    1986-01-01

    Air-broadened half-widths of 18 transitions in the nu6 band of H2O2 between 1252/cm and 1291/cm have been determined from spectra recorded at room temperature using a tunable diode laser spectrometer. The preparation of the H2O2 gas samples for the measurements is described, and the data analysis is discussed, including the derivation of Lorentz broadening coefficients and the contribution of molecular collisions to the measured Lorentz half-widths. For the 18 transitions, the half-widths varied from 0.0923/cm/atm to 0.1155/cm/atm at 296 K, with a mean value of 0.1020/cm/atm. An error of less than 10 percent is estimated for these results.

  18. Structure of the demesmaekerite, Pb/sub 2/Cu/sub 5/(SeO/sub 3/)/sub 6/(UO/sub 2/)/sub 2/(OH)/sub 6/. 2H/sub 2/O

    Energy Technology Data Exchange (ETDEWEB)

    Ginderow, D [Laboratoire de Mineralogie-Cristallographie, Universite Pierre et Marie Curie, Paris, France; Cesbron, F [Bureau de Recherches Geologiques et Minieres (BRGM), 45 - Orleans (France)

    1938-07-15

    Msub(r) = 2172, triclinic, P1-bar, a = 11.955(5), b = 10.039(4), c = 5.639(2) A, ..cap alpha.. = 89.78(4), ..beta.. = 100.36(4), ..gamma.. = 91.34(4)/sup 0/, Z = 1, V = 666 A/sup 3/, Dsub(x) = 5.42(5), Dsub(m) = 5.28(4) Mg m/sup -3/, ..mu..(Mo K..cap alpha..) = 36.57 mm/sup -1/, F(000) = 1217, T = 295 K. The final R value is 0.060 for 3329 observed reflexions. The crystal structure consists of layers of (Cu(O,OH,H/sub 2/O)/sub 6/) octahedra parallel to (010) and linked to each other by oblique chains which are formed by oxygen bridges linking uranyl and selenium ions.

  19. Computational study on the mechanisms and energetics of trimethylindium reactions with H2O and H2S.

    Science.gov (United States)

    Raghunath, P; Lin, M C

    2007-07-19

    The reactions of trimethylindium (TMIn) with H2O and H2S are relevant to the chemical vapor deposition of indium oxide and indium sulfide thin films. The mechanisms and energetics of these reactions in the gas phase have been investigated by density functional theory and ab initio calculations using the CCSD(T)/[6-31G(d,p)+Lanl2dz]//B3LYP/[6-31G(d,p)+Lanl2dz] and CCSD(T)/[6-31G(d,p)+Lanl2dz] //MP2/[6-31G(d,p)+Lanl2dz] methods. The results of both methods are in good agreement for the optimized geometries and relative energies. When TMIn reacts with H2O and H2S, initial molecular complexes [(CH3)3In:OH2 (R1)] and [(CH3)3In:SH2 (R2)] are formed with 12.6 and 3.9 kcal/mol binding energies. Elimination of a CH4 molecule from each complex occurs with a similar energy barrier at TS1 (19.9 kcal/mol) and at TS3 (22.1 kcal/mol), respectively, giving stable intermediates (CH3)2InOH and (CH3)2InSH. The elimination of the second CH4 molecule from these intermediate products, however, has to overcome very high and much different barriers of 66.1 and 53.2 kcal/mol, respectively. In the case of DMIn with H2O and H2S reactions, formation of both InO and InS is exothermic by 3.1 and 30.8 kcal/mol respectively. On the basis of the predicted heats of formation of R1 and R2 at 0 K and -20.1 and 43.6 kcal/mol, the heats of formation of (CH3)2InOH, (CH3)2InSH, CH3InO, CH3InS, InO, and InS are estimated to be -20.6, 31.8, and 29.0 and 48.4, 35.5, and 58.5 kcal/mol, respectively. The values for InO and InS are in good agreement with available experimental data. A similar study on the reactions of (CH3)2In with H2O and H2S has been carried out; in these reactions CH3InOH and CH3InSH were found to be the key intermediate products.

  20. Thermal decomposition of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 22H{sub 2}O: Influence on structure, microstructure and hydrofluorination

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, R. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Hall de Recherche de Pierrelatte, AREVA NC, BP 16, 26701 Pierrelatte (France); Rivenet, M., E-mail: murielle.rivenet@ensc-lille.fr [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Berrier, E. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Waele, I. de [Université de Lille, CNRS, UMR 8516 – LASIR - Laboratoire de Spectrochimie Infrarouge et Raman, F-59000 Lille (France); Arab, M.; Amaraggi, D.; Morel, B. [Hall de Recherche de Pierrelatte, AREVA NC, BP 16, 26701 Pierrelatte (France); Abraham, F. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France)

    2017-01-15

    The thermal decomposition of uranyl peroxide tetrahydrate, (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}.2H{sub 2}O, was studied by combining high temperature powder X-ray diffraction, scanning electron microscopy, thermal analyses and spectroscopic techniques (Raman, IR and {sup 1}H NMR). In situ analyses reveal that intermediates and final uranium oxides obtained upon heating are different from that obtained after cooling at room temperature and that the uranyl precursor used to synthesize (UO{sub 2})O{sub 2}(H{sub 2}O){sub 22H{sub 2}O, sulfate or nitrate, has a strong influence on the peroxide thermal behavior and morphology. The decomposition of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 22H{sub 2}O ex sulfate is pseudomorphic and leads to needle-like shaped particles of metastudtite, (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}, and UO{sub 3-x}(OH){sub 2x}·zH{sub 2}O, an amorphous phase found in air in the following of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2} dehydration. (UO{sub 2})O{sub 2}(H{sub 2}O){sub 22H{sub 2}O and the compounds resulting from its thermal decomposition are very reactive towards hydrofluorination as long as their needle-like morphology is kept.

  1. Tuning of tantalum alkylidene reactivity with a terdentate arylamine ligand : synthesis, structure and reactivity of [TaCl2{C6H3(CH2NMe2)2-2,6}(CHBu-tert)

    NARCIS (Netherlands)

    Abbenhuis, H.C.L.; Grove, D.M.; Koten, van G.; Sluijs, van der P.; Spek, A.L.

    1990-01-01

    The terdentate aryldiamine ligand in the aryltantalum(V) alkylidene complex [TaCl2{C6H3(CH2NMe2)2-2,6}(CHBut)] (1) controls alkylidene reactivity in a range of metal-mediated Wittig reactions. An X-ray diffraction study of (1) shows that the hexacoordinate tantalum centre has a very irregular ligand

  2. Systems Li2B4O7 (Na2B4O7, K2B4O7)-N2H3H4OH-H2O at 25 deg C

    International Nuclear Information System (INIS)

    Skvortsov, V.G.; Sadetdinov, Sh.V.; Akimov, V.M.; Mitrasov, Yu.N.; Petrova, O.V.; Klopov, Yu.N.

    1994-01-01

    Phase equilibriums in the Li 2 B 4 O 7 (Na 2 B 4 O 7 , K 2 B 4 O 7 )-N 2 H 3 H 4 OH-H 2 O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM 2 B 4 O 7 ·nN 2 H 3 C 2 H 4 OH·XH 2 O, where M=Li, Na with hydrazine ethanol. K 2 B 4 O 7 ·4H 2 O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods

  3. Flat-topped emission centred at 1 250 nm from quantum dot superluminescent diodes

    Directory of Open Access Journals (Sweden)

    R.A. Hogg

    2010-01-01

    Full Text Available We present a method for tailoring a broadband and flat-topped emission spectrum in quantum dot superluminescent diodes based upon modification of the dots-in-compositionally-modulated-well (DCMWELL technique. We demonstrate flat-topped emission with 95 nm full width at half maximum (FWHM, centred at 1 250 nm, and with output power in excess of 8 mW.

  4. trans-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ2O,O′cobalt(II dihydrate

    Directory of Open Access Journals (Sweden)

    Takumi Tominaga

    2017-01-01

    Full Text Available The CoII atom in the mononuclear title compound, [Co(C5HF6O22(H2O22H2O, is situated on an inversion centre and exhibits a slightly distorted octahedral coordination sphere. In the crystal, molecules are arranged in layers parallel to (100, held together by O—H...O and O—H...F hydrogen bonds.

  5. Kinetics and oxidative mechanism for H{sub 2}O{sub 2}-enhanced iron-mediated aeration (IMA) treatment of recalcitrant organic compounds in mature landfill leachate

    Energy Technology Data Exchange (ETDEWEB)

    Deng Yang, E-mail: yang.deng@upr.edu [Department of Civil Engineering and Surveying, University of Puerto Rico, PO BOX 9041, Mayaguez, PR 00681 (Puerto Rico); Englehardt, James D. [Department of Civil, Architectural and Environmental Engineering, University of Miami, PO BOX 248294, Coral Gables, FL 33124-0630 (United States)

    2009-09-30

    A hydrogen peroxide (H{sub 2}O{sub 2})-enhanced iron (Fe{sup 0})-mediated aeration (IMA) process has been recently demonstrated to effectively remove organic wastes from mature landfill leachate. In this paper, the kinetics and oxidative mechanisms of the enhanced IMA treatment were studied. Bench-scale full factorial tests were conducted in an orbital shaker reactor for treatment of a mature leachate with an initial chemical oxygen demand (COD) of 900-1200 mg/L. At the maximum aeration rate (8.3 mL air/min mL sample), process variables significantly influencing the rates of H{sub 2}O{sub 2} decay and COD removal were pH (3.0-8.0), initial H{sub 2}O{sub 2} doses (0.21-0.84 M), and Fe{sup 0} surface area concentrations (0.06-0.30 m{sup 2}/L). Empirical kinetic models were developed and verified for the degradation of H{sub 2}O{sub 2} and COD. High DO maintained by a high aeration rate slowed the H{sub 2}O{sub 2} self-decomposition, accelerated Fe{sup 0} consumption, and enhanced the COD removal. In hydroxyl radical (OH{center_dot}) scavenging tests, the rate of removal of glyoxylic acid (target compound) was not inhibited by the addition of para-chlorobenzoic acid (OH{center_dot} scavenger) at pH 7.0-7.5, ruling out hydroxyl radical as the principal oxidant in neutral-weakly basic solution. These experimental results show that this enhanced IMA technology is a potential alternative for the treatment of high strength recalcitrant organic wastewaters.

  6. Application of UV/TiO2/H2O2 Advanced Oxidation to Remove Naphthalene from Water

    Directory of Open Access Journals (Sweden)

    Behroz Karimi

    2016-11-01

    Full Text Available Naphthalene is released into the environment by burning such organic materials as fossil fuels and wood and in industrial and vehicle exhaust emissions. Naphthalene is used in the manufacture of plastics, resins, fuels, and dyes. The aim of this study was to evaluate the performance of UV/TiO2/H2O2 process to decompose naphthalene in aqueous solutions. For this purpose, the photocatalytic degradation of naphthalene was investigated under UV light irradiation in the presence of TiO2 and H2O2 under a variety of conditions. Photodegradation efficiencies of H2O2/UV, TiO2/UV, and H2O2/TiO2/UV processes were compared in a batch reactor using the low pressure mercury lamp irradiation. The effects of operating parameters such as reaction time (min; solution pH; and initial naphthalene, TiO2, and H2O2 concentrations on photodegradation were examined. In the UV/TiO2/H2O2 system with a naphthalene concentration of 15 mg/L, naphthalene removal efficiencies of 63, 75, 80, 88, 92, 95, 96.5, and 98% were achieved, respectively, for reaction times of 5, 10, 20, 30, 40, 50, 60, 100 and 120 min. This is while removal efficienciesof 50, 59.5, 69, 80, 85, 88, 91, and 95% were obtained in the UV/TiO2 system under the same conditions. For initial pH values of 3, 4, 5, 6, 7,9, 10, and 12, naphthalene removal efficiencies of approximately 96.8, 85.5, 86, 75.5, 68.8, 57.8, and 52.5% were acheived, respectively, with the UV/TiO2/H2O2 system. Thus, it may be claiomed that, compared to either H2O2/UV or TiO2/UV process, the H2O2/TiO2/UV process yielded a far more efficient photodegradation.

  7. (C6H16N2)Zn3(HPO3)4H2O: a new layered zinc phosphite templated by diprotonated trans-1,4-diaminocyclohexane

    International Nuclear Information System (INIS)

    Wang Yu; Yu Jihong; Li Yi; Du Yu; Xu Ruren; Ye Ling

    2003-01-01

    Employing trans-1,4-diaminocyclohexane (trans-1,4-DACH) as a template, a new two-dimensional layered zinc phosphite (C 6 H 16 N 2 )Zn 3 (HPO 3 ) 4 H 2 O (1) has been prepared hydrothermally. Single-crystal X-ray diffraction analysis shows that it crystallizes in the monoclinic space group P2 1 /n with a=10.458(2) A, b=14.720(3) A, c=13.079(3) A, β=97.93(3) deg. , V=1994.1(7) A 3 , Z=4, R 1 =0.0349 (I>2σ(I)) and wR 2 =0.0605 (all data). The inorganic layer is built up by alternation of ZnO 4 tetrahedra and HPO 3 pseudo pyramids forming a 4.6.8-net. The sheet is featured by a series of capped six-membered rings. The diprotonated trans-1,4-DACH molecules reside in the interlayer region and interact with the inorganic network through H-bonds

  8. Poly[[diaqua-μ4-pyrazine-2,3-dicarboxylato-κ6N,O2:O2′:O3,O3′:O3-strontium(II] monohydrate

    Directory of Open Access Journals (Sweden)

    Vahid Amani

    2008-07-01

    Full Text Available In the title compound, {[Sr(C6H2N2O4(H2O2H2O}n, the SrII ions are bridged by the pyrazine-2,3-dicarboxylate ligands with the formation of two-dimensional polymeric layers parallel to the ac plane. Each SrII ion is eight-coordinated by one N and five O atoms from the four ligands and two water molecules. The coordination polyhedron is derived from a pentagonal bipyramid with an O atom at the apex on one side of the equatorial plane and two O atoms sharing the apical site on the other side. The coordinated and uncoordinated water molecules are involved in O—H...O and O—H...N hydrogen bonds, which consolidate the crystal structure.

  9. Redetermination of Ce[B5O8(OH(H2O]NO3·2H2O

    Directory of Open Access Journals (Sweden)

    Ya-Xi Huang

    2012-05-01

    Full Text Available The crystal structure of Ce[B5O8(OH(H2O]NO3·2H2O, cerium(III aquahydroxidooctaoxidopentaborate nitrate dihydrate, has been redetermined from single-crystal X-ray diffraction data. In contrast to the previous determination [Li et al. (2003. Chem. Mater. 15, 2253–2260], the present study reveals the location of all H atoms, slightly different fundamental building blocks (FBBs of the polyborate anions, more reasonable displacement ellipsoids for all non-H atoms, as well as a model without disorder of the nitrate anion. The crystal structure is built from corrugated polyborate layers parallel to (010. These layers, consisting of [B5O8(OH(H2O]2− anions as FBBs, stack along [010] and are linked by Ce3+ ions, which exhibit a distorted CeO10 coordination sphere. The layers are additionally stabilized via O—H...O hydrogen bonds between water molecules and nitrate anions, located at the interlayer space. The [BO3(H2O]-group shows a [3 + 1] coordination and is considerably distorted from a tetrahedral configuration. Bond-valence-sum calculation shows that the valence sum of boron is only 2.63 valence units (v.u. when the contribution of the water molecule (0.49 v.u. is neglected.

  10. Facile one-step hydrothermal synthesis toward strongly coupled TiO{sub 2}/graphene quantum dots photocatalysts for efficient hydrogen evolution

    Energy Technology Data Exchange (ETDEWEB)

    Min, Shixiong, E-mail: sxmin@nun.edu.cn [School of Chemistry and Chemical Engineering, Beifang University of Nationalities, Yinchuan, 750021, Ningxia Province (China); Hou, Jianhua; Lei, Yonggang; Ma, Xiaohua [School of Chemistry and Chemical Engineering, Beifang University of Nationalities, Yinchuan, 750021, Ningxia Province (China); Lu, Gongxuan [State Key Laboratory for Oxo Synthesis and Selective Oxidation, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou, 730000 (China)

    2017-02-28

    Highlights: • TiO{sub 2}/GQDs composites were prepared by a facile one-step hydrothermal method. • GQDs were strongly coupled onto the surface of TiO{sub 2} nanoparticles by this method. • The TiO{sub 2}/GQDs showed enhanced light absorption and charge separation efficiency. • The TiO{sub 2}/GQDs exhibited higher photocatalytic H{sub 2} evolution activity than pure TiO{sub 2}. • GQDs play synergistic roles by acting as both photosensitizer and electron acceptor. - Abstract: The coupling of semiconductor photocatalysts with graphene quantum dots (GQDs) has been proven to be an effective strategy to enhance the photocatalytic and photoelectrical conversion performances of the resulted composites; however, the preparation of semiconductor/GQDs composites usually involves several time-inefficient and tedious post-treatment steps. Herein, we present a facile one-step hydrothermal route for the preparation of GQDs coupled TiO{sub 2} (TiO{sub 2}/GQDs) photocatalysts using 1,3,6-trinitropyrene (TNP) as the sole precursor of GQDs. During the hydrothermal process, TNP molecules undergo an intramolecular fusion to form GQDs, which simultaneously decorate on the surface of TiO{sub 2} nanoparticles, leading to a strong surface interaction between the two components. The effective coupling of GQDs on TiO{sub 2} can effectively extend the light absorption of the TiO{sub 2} to visible region and enhance the charge separation efficiency of TiO{sub 2}/GQDs composites as a result of GQDs acting as a photosensitizer and an excellent electron acceptor. These key advances make the TiO{sub 2}/GQDs photocatalyst highly active towards the H{sub 2} evolution reaction, resulting in 7 and 3 times higher H{sub 2} evolution rate and photocurrent response at optimal GQDs content than TiO{sub 2} alone, respectively. This study provides a new methodology for the development of high-performance GQDs modified semiconductor photocatalysts for energy conversion applications.

  11. Efficient and Selective Debromination of vic-Dibromides to Alkenes Using CoCl2·6H2O/Indium System

    International Nuclear Information System (INIS)

    Yoo, Byung Woo; Kim, Seo Hee; Min, Ga Hong

    2012-01-01

    We have found that vic-dibromides treated with CoCl 2 ·6H 2 O/indium system in methanol are efficiently converted into the corresponding alkenes in high yields under mild conditions. Although the scope and limitations of this method have not been fully established, it is expected to be a useful and efficient alternative to the existing methods for the debromination of vic-dibromides. There is always considerable interest in the search for more efficient and selective procedures for the debromination of vic-dibromides. The reduction of CoCl 2 to low-valent cobalt species and the synthetic utility of such species are well documented in the literature. Generally, reducing agents, such as zinc and magnesium, are used for the reduction of CoCl 2 . Because indium and zinc closely resemble each other in several aspects, including first ionization, we considered that a combination of CoCl 2 ·6H 2 O with indium could facilitate the reductive debromination of vic-dibromides under mild conditions. As in the case of zinc, the reduction potential of indium is not highly negative (In: E o , In +3 /In = -0.345 V; Zn: E o , Zn: +2 /Zn = -0.763 V): thus, indium is not sensitive to water and does not form oxides readily in air. In recent years, indium metal has been the subject of active interest because of its unique properties such as low toxicity and high stability in water and air compared to other metals. In connection with our interest in exploring the utility of low-valent metal reagents for organic transformations, we herein wish to report an efficient and chemoselective method for the debromination of vic-dibromides to alkenes using CoCl 2 ·6H 2 O/indium system at room temperature

  12. Ab initio studies of O2-(H2O)n and O3-(H2O)n anionic molecular clusters, n≤12

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Kurtén, T.; Enghoff, Martin Andreas Bødker

    2011-01-01

    that anionic O2−(H2O)n and O3−(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding. Although...... clustering up to 12 H2O, we find that the O2 and O3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O2− and O3− speicies are thus accessible for further reactions. Finally, the thermodynamics of a few relevant cluster reactions are considered....

  13. Observation of stimulated Raman scattering in polar tetragonal crystals of barium antimony tartrate trihydrate, Ba[Sb{sub 2}((+)C{sub 4}H{sub 2}O{sub 6}){sub 2}].3H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Kaminskii, Alexander A. [Institute of Crystallography, Russian Academy of Sciences, Moscow (Russian Federation); Rhee, Hanjo; Eichler, Hans J.; Lux, Oliver [Institute of Optics and Atomic Physics, Technical University of Berlin (Germany); Nemec, Ivan [Department of Inorganic Chemistry, Faculty of Science, Charles University, Prague (Czech Republic); Yoneda, Hitoki; Shirakawa, Akira [Institute for Laser Science, University of Electro-Communications, Tokyo (Japan); Becker, Petra; Bohaty, Ladislav [Section Crystallography, Institute of Geology and Mineralogy, University of Cologne (Germany)

    2017-04-15

    The non-centrosymmetric polar tetragonal (P4{sub 1}) barium antimony tartrate trihydrate, Ba[Sb{sub 2}((+)C{sub 4}H{sub 2}O{sub 6}){sub 2}].3H{sub 2}O, was found to be an attractive novel semi-organic crystal manifesting numerous χ{sup (2)}- and χ{sup (3)}-nonlinear optical interactions. In particular, with picosecond single- and dual-wavelength pumping SHG and THG via cascaded parametric four-wave processes were observed. High-order Stokes and anti-Stokes lasing related to two SRS-promoting vibration modes of the crystal, with ω{sub SRS1} ∼ 575 cm{sup -1} and ω{sub SRS2} ∼ 2940 cm{sup -1}, takes place. Basing on a spontaneous Raman investigation an assignment of the two SRS-active vibration modes is discussed. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Hydrothermal crystallization in the KOH-TiO2-GeO2-H2O system at 500 deg C and 0.1 GPa

    International Nuclear Information System (INIS)

    Ilyushin, G.D.

    2003-01-01

    The identification of structural phases and crystallochemical analysis of phases in a KOH-TiO 2 -GeO 2 -H 2 O system under conditions of high temperatures and pressures are performed. A comparison is made with earlier obtained results for a system of KOH-GeO 2 (quartz-like structure)-H 2 O. It is established that K 2 Ti 6 O 13 skeleton potassium titanate is a basic phase in the system of KOH-TiO 2 -GeO 2 -H 2 O at 500 deg C and 0.1 GPa within a wide range of varying TiO 2 :GeO 2 and KOH concentrations [ru

  15. K4Nb6O17·4.5H2O: A novel dual functional material with quick photoreduction of Cr(VI) and high adsorptive capacity of Cr(III)

    International Nuclear Information System (INIS)

    Ma, Yuli; Liu, Xiaoqing; Li, Yang; Su, Yiguo; Chai, Zhanli; Wang, Xiaojing

    2014-01-01

    Graphical abstract: A well crystalline K 4 Nb 6 O 17 ·4.5H 2 O with a wide layer spacing possesses an excellent disposal performance for chromium species of Cr(VI) and Cr(III) as well as the superior recyclability due to its high stability and convenient regeneration process. - Highlights: • A nano-sheet K 4 Nb 6 O 17 ·4.5H 2 O with a large layer spacing was synthesized. • K 4 Nb 6 O 17 ·4.5H 2 O showed a superior photoreduction of Cr(VI) in an acidic solution. • The sample showed a high adsorption capacity of Cr(III) in a near neutral solution. • K 4 Nb 6 O 17 ·4.5H 2 O regenerated conveniently by immersing in a KOH solution. • A complete removal of chromium species was retained after recycling five times. - Abstract: A series of orthorhombic phase K 4 Nb 6 O 17 ·4.5H 2 O was synthesized via a hydrothermal approach. When presented in an acidic pH range, K 4 Nb 6 O 17 ·4.5H 2 O showed a strong ability in quick reduction from Cr(VI) to Cr(III). The resulted Cr(III) ions were removed by an effective adsorption through simply adjusting the solution pH from strong acidity to near neutrality, owing to the sample's unique nano-sheet structure with a wide layer spacing. The Cr(III) ions adsorbed onto samples were released again for reusing by eluting with 1 mol L −1 HCl solution, and K 4 Nb 6 O 17 ·4.5H 2 O regenerated by immersing in a KOH solution. The reduction efficiency of Cr(VI) was still up to 98% after irradiation for 60 min, and the removal efficiency of Cr(III) ions was as high as 83% even after five cycles. Therefore, K 4 Nb 6 O 17 ·4.5H 2 O is clearly demonstrated to be an excellent dual functional material with quick photoreduction of Cr(VI) and high adsorptive capacity of Cr(III). The relevant materials reported herein might be found various environment-related applications

  16. Studies on the direct synthesis of [O-15]-H2O

    International Nuclear Information System (INIS)

    Hagami, Eiichi; Murakami, Matsutaro; Takahashi, Kazuhiro; Kanno, Iwao; Aizawa, Yasuo; Hachiya, Takenori; Shoji, Yasuaki; Shishido, Fumio; Uemura, Kazuo

    1986-01-01

    A direct [O-15]-H 2 O synthesis method and its critical point of non-radioactive NH 4 + contamination were described. The 6.4 MeV deuterons were irradiated into the target chamber of 177 ml, filled up with 3.5 kg/cm 2 of 0.1 % H 2 in N 2 . [O-15]-H 2 O vapor was transported to PET room by He flow of 2.5 l/min through the teflon tubing of 2 mm in internal diameter and of 30 m in length. [O-15]-H 2 O was trapped in the vial containing 10 ml of saline and passed through Millipore filter. In this condition, the small amount of non-radioactive NH 4 + (24.9 ± 12.8 (1 SD) μg/dl, n = 23) was detected. This NH 4 + concentration varied from 25 to 11,000 μg/dl with changing H 2 amount in the target from 0.1 to 4.0 %. The NH 4 + concentration was kept lower than a normal range of the healthy human blood with 0.5 % or less H 2 in N 2 in the target. Therefore, 0.1 % of H 2 was used in clinical use. By the present method, a yield of approximately 7 mCi/μA of [O-15]-H 2 O saline was obtained. About 10 % of radioactive gases, corresponding to C 15 O, C 15 O 2 and N 2 15 O, were detected in the waste gas. The radiochemical and radionuclidic impurity was not detected in the saline. The biological tests for bacteria and pyrogen were all passed. In conclusion, the direct synthesis method provides [O-15]-H 2 O saline in the PET room with the simple handling and is convenient for the clinical use. (author)

  17. Enhanced photovoltaic performance of a quantum dot-sensitized solar cell using a Nb-doped TiO2 electrode

    International Nuclear Information System (INIS)

    Jiang, Lei; You, Ting; Deng, Wei-Qiao

    2013-01-01

    In this work Nb-doped anatase TiO 2 nanocrystals are used as the photoanode of quantum-dot-sensitized solar cells. A solar cell with CdS/CdSe quantum dots co-sensitized 2.5 mol% Nb-doped anatase TiO 2 nanocrystals can achieve a photovoltaic conversion efficiency of 3.3%, which is almost twice as high as the 1.7% obtained by a cell based on undoped TiO 2 nanocrystals. The incident photon-to-current conversion efficiency can reach as high as 91%, which is a record for all quantum-dot-sensitized solar cells. Detailed analysis shows that such an enhancement is due to improved lifetime and diffusion length of electrons in the solar cell. (paper)

  18. Enhanced photovoltaic performance of a quantum dot-sensitized solar cell using a Nb-doped TiO2 electrode.

    Science.gov (United States)

    Jiang, Lei; You, Ting; Deng, Wei-Qiao

    2013-10-18

    In this work Nb-doped anatase TiO2 nanocrystals are used as the photoanode of quantum-dot-sensitized solar cells. A solar cell with CdS/CdSe quantum dots co-sensitized 2.5 mol% Nb-doped anatase TiO2 nanocrystals can achieve a photovoltaic conversion efficiency of 3.3%, which is almost twice as high as the 1.7% obtained by a cell based on undoped TiO2 nanocrystals. The incident photon-to-current conversion efficiency can reach as high as 91%, which is a record for all quantum-dot-sensitized solar cells. Detailed analysis shows that such an enhancement is due to improved lifetime and diffusion length of electrons in the solar cell.

  19. H2O2: A Dynamic Neuromodulator

    Science.gov (United States)

    Rice, Margaret E.

    2012-01-01

    Increasing evidence implicates hydrogen peroxide (H2O2) as an intra- and intercellular signaling molecule that can influence processes from embryonic development to cell death. Most research has focused on relatively slow signaling, on the order of minutes to days, via second messenger cascades. However, H2O2 can also mediate subsecond signaling via ion channel activation. This rapid signaling has been examined most thoroughly in the nigrostriatal dopamine (DA) pathway, which plays a key role in facilitating movement mediated by the basal ganglia. In DA neurons of the substantia nigra, endogenously generated H2O2 activates ATP-sensitive K+ (KATP) channels that inhibit DA neuron firing. In the striatum, H2O2 generated downstream from glutamatergic AMPA receptor activation in medium spiny neurons acts as a diffusible messenger that inhibits axonal DA release, also via KATP channels. The source of dynamically generated H2O2 is mitochondrial respiration; thus, H2O2 provides a novel link between activity and metabolism via KATP channels. Additional targets of H2O2 include transient receptor potential (TRP) channels. In contrast to the inhibitory effect of H2O2 acting via KATP channels, TRP channel activation is excitatory. This review describes emerging roles of H2O2 as a signaling agent in the nigrostriatal pathway and other basal ganglia neurons. PMID:21666063

  20. CdTe quantum dots functionalized with 4-amino-2,2,6,6-tetramethylpiperidine-N-oxide as luminescent nanoprobe for the sensitive recognition of bromide ion

    International Nuclear Information System (INIS)

    Adegoke, Oluwasesan; Hosten, Eric; McCleland, Cedric; Nyokong, Tebello

    2012-01-01

    Graphical abstract: A bromide ion-selective modified nanoprobe sensor based on 4-amino-2,2,6,6-tetramethylpiperidine-N-oxide (4AT)-functionalized CdTe quantum dots (QDs-4AT) showed a high selectivity and sensitivity for the determination of bromide ion using fluorescence recovery. Highlights: ► Water soluble CdTe quantum dots interact with tetramethylpiperidine-N-oxide. ► Quantum dots fluorescence is quenched by the radical. ► In the presence of bromide ions the fluorescence is restored. ► The sensor is more selective to bromine ions than other common ions. - Abstract: A novel bromide ion-selective modified nanoprobe sensor based on 4-amino-2,2,6,6-tetramethylpiperidine-N-oxide (4AT)-functionalized CdTe quantum dots (QDs-4AT) has been developed. Fluorescence quenching of the QDs by 4AT was observed. The functionalized QDs-4AT nanoprobe allowed a highly sensitive determination of bromide ion via analyte-induced change in the photoluminescence (fluorescence recovery) of the modified QDs. A detection limit of 0.6 nM of bromide ion was obtained, while the interfering effect of other inorganic cations and anions was investigated to examine the selectivity of the nanoprobe. The linear range was between 0.01 and 0.13 μM. Combined fluorescence lifetime and electron paramagnetic resonance measurements confirmed electron transfer processes between bromide ion and QDs-4AT.

  1. Completing the series. New coordination networks of composition {sup 3}{sub ∞}[RE{sub 2}(ADC){sub 3}(H{sub 2}O){sub 6}].2H{sub 2}O with RE = Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Y and ADC{sup 2-} = acetylenedicarboxylate ({sup -}O{sub 2}C-C≡C-CO{sub 2}{sup -})

    Energy Technology Data Exchange (ETDEWEB)

    Gramm, Verena K.; Schuy, Andrea; Ruschewitz, Uwe [Institut fuer Anorganische Chemie, Koeln Univ. (Germany); Suta, Markus; Wickleder, Claudia [Anorganische Chemie, Universitaet Siegen (Germany); Sternemann, Christian [Fakultaet Physik / DELTA, Technische Universitaet Dortmund (Germany)

    2018-02-01

    The crystal structures of {sup 3}{sub ∞}[RE{sub 2}(ADC){sub 3}(H{sub 2}O){sub 6}].2H{sub 2}O (RE = Pr, Nd, Sm, Eu, Tb, Dy) were solved and refined from X-ray single crystal data. They crystallize in a structure type already known for RE = La, Ce and Gd (P1, no. 2, Z = 2), which is characterized by REO{sub 9} polyhedra forming dimeric units being the nodes of a 3D framework structure linked by ADC{sup 2-} anions ({sup -}O{sub 2}C-C≡C-CO{sub 2}{sup -} = acetylenedicarboxylate). From synchrotron powder diffraction data it was shown that isostructural coordination networks are formed for RE = Ho, Er, Y, whereas for RE = Tm, Yb, Lu a new structure type crystallizing in a highly complex crystal structure with a large orthorhombic unit cell is found. All compounds are obtained by slow evaporation of an aqueous solution containing RE(OAc){sub 3}.xH{sub 2}O and acetylenedicarboxylic acid (H{sub 2}ADC). The coordination networks of composition {sup 3}{sub ∞}[RE{sub 2}(ADC){sub 3}(H{sub 2}O){sub 6}].2H{sub 2}O were thoroughly investigated by thermal analysis and for RE = Eu, Tb, a strong red and green photoluminescence was observed and investigated by means of UV/Vis spectroscopy. (copyright 2018 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Photochemical degradation of diethyl phthalate with UV/H2O2

    International Nuclear Information System (INIS)

    Xu Bin; Gao Naiyun; Sun Xiaofeng; Xia Shengji; Rui Min; Simonnot, Marie-Odile; Causserand, Christel; Zhao Jianfu

    2007-01-01

    The decomposition of diethyl phthalate (DEP) in water using UV-H 2 O 2 process was investigated in this paper. DEP cannot be effectively removed by UV radiation and H 2 O 2 oxidation alone, while UV-H 2 O 2 combination process proved to be effective and could degrade this compound completely. With initial concentration about 1.0 mg/L, more than 98.6% of DEP can be removed at time of 60 min under intensity of UV radiation of 133.9 μW/cm 2 and H 2 O 2 dosage of 20 mg/L. The effects of applied H 2 O 2 dose, UV radiation intensity, water temperature and initial concentration of DEP on the degradation of DEP have been examined in this study. Degradation mechanisms of DEP with hydroxyl radicals oxidation also have been discussed. Removal rate of DEP was sensitive to the operational parameters. A simple kinetic model is proposed which confirms to pseudo-first order reaction. There is a linear relationship between rate constant k and UV intensity and H 2 O 2 concentration

  3. ZnO quantum dot-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity

    Science.gov (United States)

    Lu, Yanghua; Wu, Zhiqian; Xu, Wenli; Lin, Shisheng

    2016-12-01

    A ZnO quantum dot photo-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity of more than 1915 A W-1 and detectivity of more than 1.02 × 1013 Jones (Jones = cm Hz1/2 W-1) has been demonstrated. The interfaced h-BN layer increases the barrier height at the graphene/GaN heterojunction, which decreases the dark current and improves the on/off current ratio of the device. The photo-doping effect increases the barrier height and carrier concentration at the graphene/h-BN/GaN heterojunction, thus the responsivity is improved from 1473 A W-1 to 1915 A W-1 and the detectivity is improved from 5.8 × 1012 to 1.0 × 1013 Jones. Moreover, all of the responsivity and detectivity values are the highest values among all the graphene-based ultraviolet photodetectors.

  4. Quasiparticle interfacial level alignment of highly hybridized frontier levels: H2O on TiO2(110).

    Science.gov (United States)

    Migani, Annapaola; Mowbray, Duncan J; Zhao, Jin; Petek, Hrvoje

    2015-01-13

    Knowledge of the frontier levels' alignment prior to photoirradiation is necessary to achieve a complete quantitative description of H2O photocatalysis on TiO2(110). Although H2O on rutile TiO2(110) has been thoroughly studied both experimentally and theoretically, a quantitative value for the energy of the highest H2O occupied levels is still lacking. For experiment, this is due to the H2O levels being obscured by hybridization with TiO2(110) levels in the difference spectra obtained via ultraviolet photoemission spectroscopy (UPS). For theory, this is due to inherent difficulties in properly describing many-body effects at the H2O-TiO2(110) interface. Using the projected density of states (DOS) from state-of-the-art quasiparticle (QP) G0W0, we disentangle the adsorbate and surface contributions to the complex UPS spectra of H2O on TiO2(110). We perform this separation as a function of H2O coverage and dissociation on stoichiometric and reduced surfaces. Due to hybridization with the TiO2(110) surface, the H2O 3a1 and 1b1 levels are broadened into several peaks between 5 and 1 eV below the TiO2(110) valence band maximum (VBM). These peaks have both intermolecular and interfacial bonding and antibonding character. We find the highest occupied levels of H2O adsorbed intact and dissociated on stoichiometric TiO2(110) are 1.1 and 0.9 eV below the VBM. We also find a similar energy of 1.1 eV for the highest occupied levels of H2O when adsorbed dissociatively on a bridging O vacancy of the reduced surface. In both cases, these energies are significantly higher (by 0.6 to 2.6 eV) than those estimated from UPS difference spectra, which are inconclusive in this energy region. Finally, we apply self-consistent QPGW (scQPGW1) to obtain the ionization potential of the H2O-TiO2(110) interface.

  5. Syntheses and Thermal Behaviors of Rb(FOX-7)·H2O and Cs(FOX-7)·H2O

    International Nuclear Information System (INIS)

    Luo, Jinan; Xu, Kangzhen; Wang, Min; Ren, Xiaolei; Chen, Yongshun; Song, Jirong; Zhao, Fengqi

    2010-01-01

    Two new energetic organic alkali metal salts, 1,1-diamino-2,2-dinitroethylene rubidium salt [Rb(FOX-7)·H 2 O] and 1,1- diamino-2,2-dinitroethylene cesium salt [Cs(FOX-7)·H 2 O], were synthesized by reacting of 1,1-diamino-2,2-dinitroethylene (FOX-7) and rubidium chloride or cesium chloride in alkali methanol aqueous solution, respectively. The thermal behaviors of Rb(FOX-7)·H 2 O and Cs(FOX-7)·H 2 O were studied with DSC and TG methods. The critical temperatures of thermal explosion of the two compounds are 216.22 and 223.73 .deg. C, respectively. Specific heat capacities of the two compounds were determined with a micro-DSC method, and the molar heat capacities are 217.46 and 199.47 J mol -1 K -1 at 298.15 K, respectively. The adiabatic times-to-explosion were also calculated to be a certain value of 5.81 - 6.36 s for Rb(FOX-7)·H 2 O, and 9.92 - 10.54 s for Cs(FOX-7)·H 2 O. After FOX-7 becoming alkali metal salts, thermal decomposition temperatures of the compounds heighten with the rise of element period, but thermal decomposition processes become intense

  6. Crystallographic and infrared spectroscopic study of bond distances in Ln[Fe(CN)6].4H2O (Ln=lanthanide)

    International Nuclear Information System (INIS)

    Zhou Xianju; Wong, W.-T.; Faucher, Michele D.; Tanner, Peter A.

    2008-01-01

    Along with crystallographic data of Ln[Fe(CN) 6 ].4H 2 O (Ln=lanthanide), the infrared spectra are reassigned to examine bond length trends across the series of Ln. The changes in mean Ln-O, Ln-N, C≡N and Fe-C distances are discussed and the bond natures of Ln-N and Ln-O are studied by bond length linear or quadratic fitting and comparisons with relevant ionic radii. The two different C≡N bond distances have been simulated by the covalo-electrostatic model. - Graphical abstract: Crystallographic and FTIR data for Ln[Fe(CN) 6 ].4H 2 O enable the changes in Ln-O, Ln-N, C≡N and Fe-C distances to be determined and modeled across the lanthanide series

  7. Synthesis and characterization of a new uranium(V) compound: H3O+UF6-

    International Nuclear Information System (INIS)

    Masson, J.P.; Desmoulin, J.P.; Charpin, P.; Bougon, R.

    1976-01-01

    The reaction of equimolar amounts of UF 5 and H 2 O in hydrogen fluoride results in the partial dissolution of UF 5 , yielding a blue-green solution from which the new salt oxonium hexafluorouranate(V)(H 3 O + UF 6 - ) could be isolated as a green crystalline solid. Calorimetric measurements showed H 3 O + UF 6 - to decompose at about 68 0 C and its heat of formation to be equal to -628 +- 2 kcal mol. Its ionic nature in the solid state and in HF solutions was demonstrated from vibrational and electronic spectra. The electronic spectrum is closely similar to those of LiUF 6 , NaUF 6 , and CsUF 6 and differs from those of RbUF 6 and KUF 6 . This adduct shows a strong ESR signal, with g = -0.78 +- 0.10, characteristic of UF 6 - salts. Based on its x-ray powder diffraction pattern, H 3 O + UF 6 - is cubic with a = 5.2229 +- 0.0005 A

  8. Bulk modulus of basic sodalite, Na8[AlSiO4]6(OH)2·2H2O, a possible zeolitic precursor in coal-fly-ash-based geopolymers

    KAUST Repository

    Oh, Jae Eun; Moon, Juhyuk; Mancio, Mauricio; Clark, Simon M.; Monteiro, Paulo J.M.

    2011-01-01

    Synthetic basic sodalite, Na8[AlSiO4] 6(OH)22H2O, cubic, P43n, (also known as hydroxysodalite hydrate) was prepared by the alkaline activation of amorphous aluminosilicate glass, obtained from the phase separation of Class F fly ash. The sample

  9. Magnetic measurements and neutron diffraction study of the layered hybrid compounds Mn(C8H4O4)(H2O)2 and Mn2(OH)2(C8H4O4)

    International Nuclear Information System (INIS)

    Sibille, Romain; Mesbah, Adel; Mazet, Thomas; Malaman, Bernard; Capelli, Silvia; François, Michel

    2012-01-01

    Mn(C 8 H 4 O 4 )(H 2 O) 2 and Mn 2 (OH) 2 (C 8 H 4 O 4 ) layered organic–inorganic compounds based on manganese(II) and terephthalate molecules (C 8 H 4 O 4 2− ) have been studied by DC and AC magnetic measurements and powder neutron diffraction. The dihydrated compound behaves as a 3D antiferromagnet below 6.5 K. The temperature dependence of its χT product is typical of a 2D Heisenberg system and allows determining the in-plane exchange constant J≈−7.4 K through the carboxylate bridges. The magnetic structure confirms the in-plane nearest neighbor antiferromagnetic interactions and the 3D ordering. The hydroxide based compound also orders as a 3D antiferromagnet with a higher Néel temperature (38.5 K). Its magnetic structure is described from two antiferromagnetically coupled ferromagnetic sublattices, in relation with the two independent metallic sites. The isothermal magnetization data at 2 K are consistent with the antiferromagnetic ground-state of these compounds. However, in both cases, a slope change points to field-induced modification of the magnetic structure. - Graphical abstract: The macroscopic magnetic properties and magnetic structures of two metal-organic frameworks based on manganese (II) and terephthalate molecules are presented. Highlights: ► Magnetic study of Mn(C 8 H 4 O 4 )(H 2 O) 2 and Mn 2 (OH) 2 (C 8 H 4 O 4 ). ► Two compounds with common features (interlayer linker/distance, S=5/2 spin). ► Magnetic measurements quantitatively analyzed to deduce exchange constants. ► Magnetic structures determined from neutron powder diffraction experiments.

  10. Photovoltaic and Impedance Properties of Hierarchical TiO2 Nanowire Based Quantum Dot Sensitized Solar Cell

    Directory of Open Access Journals (Sweden)

    Amanullah Fatehmulla

    2015-01-01

    Full Text Available Growth and characterization of TiO2 nanowire (NW assemblies on FTO glass using a typical hydrothermal synthesis have been reported. CdS quantum dots (QDs have been deposited on TiO2 nanowires by successive ion layer adsorption and reaction (SILAR method. FESEM image exhibits the flower-like hierarchical TiO2 bunch of nanowires. HRTEM image confirms the size of CdS QDs between 5 and 6 nm. XRD and absorption studies revealed proper growth of CdS quantum dots on TiO2 nanowires. At AM 1.5 illumination intensity, the solar cell, with the configuration FTO/TiO2-NW/CdS-QDs/Pt-FTO, displays a short circuit current (Jsc of 1.295 mA and an open circuit voltage (Voc of 0.38 V. The Voc and Jsc showed linear behavior at higher illumination intensities. The peak in power-voltage characteristics at various illuminations showed a shift towards higher Voc values. Capacitance-voltage (C-V, conductance-voltage (G-V, and series resistance-voltage (Rs-V measurements of the cell in the frequency ranging from 5 kHz to 5 MHz showed decreasing trend of capacitance with increase of frequency whereas increase in conductance and decrease in resistance have been noticed with increase of frequency. All the results including the individual behavior of the plots of capacitance, conductance, and series resistance as a function of bias voltage have been discussed.

  11. Structure and phase transitions of the 6,6-cyclopropane isomer of C61H2

    International Nuclear Information System (INIS)

    Stetzer, M.R.; Heiney, P.A.; Stephens, P.W.; Dinnebier, R.E.; Zhu, Q.; McGhie, A.R.; Strongin, R.M.; Brandt, B.M.; Smith, A.B. III

    2000-01-01

    We have used x-ray powder diffraction and differential scanning calorimetry to study the crystalline structures and thermal behavior of the 6,6-cyclopropane isomer of C 61 H 2 . At room temperature, the C 61 H 2 cyclopropane molecules, like those of the 6,5-annulene isomer and C 60 O epoxide, are orientationally disordered and crystallize on a face-centered-cubic lattice such that their methylene groups are statistically disordered among the octahedral voids. Unlike 6,5-C 61 H 2 and C 60 O, the low-temperature structure is not Pa3-bar, but rather a low-symmetry orthorhombic lattice in which a≅b< c. The orientational melting takes place via a two-step transition centered around 198-213 K

  12. Ion-Molecule Reaction of Gas-Phase Chromium Oxyanions: CrxOyHz- + H2O

    International Nuclear Information System (INIS)

    Gianotto, Anita Kay; Hodges, Brittany DM; Benson, Michael Timothy; Harrington, Peter Boves; Appelhans, Anthony David; Olson, John Eric; Groenewold, Gary Steven

    2003-01-01

    Chromium oxyanions having the general formula CrxOyHz- play a key role in many industrial, environmental, and analytical processes, which motivated investigations of their intrinsic reactivity. Reactions with water are perhaps the most significant, and were studied by generating CrxOyHz- in the gas phase using a quadrupole ion trap secondary ion mass spectrometer. Of the ions in the Cr1OyHz envelope (y = 2, 3, 4; z = 0, 1), only CrO2- was observed to react with H2O, producing the hydrated CrO3H2- at a slow rate (∼0.07% of the ion-molecule collision constant at 310 K). CrO3-, CrO4-, and CrO4H- were unreactive. In contrast, Cr2O4-, Cr2O5-, and Cr2O5H2- displayed a considerable tendency to react with H2O. Cr2O4- underwent sequential reactions with H2O, initially producing Cr2O5H2- at a rate that was ∼7% efficient. Cr2O5H2- then reacted with a second H2O by addition to form Cr2O6H4- (1.8% efficient) and by OH abstraction to form Cr2O6H3- (0.6% efficient). The reactions of Cr2O5- were similar to those of Cr2O5H2-: Cr2O5- underwent addition to form Cr2O6H2- (3% efficient) and OH abstraction to form Cr2O6H- (<1% efficient). By comparison, Cr2O6- was unreactive with H2O, and in fact, no further H2O addition could be observed for any of the Cr2O6Hz- anions. Hartree-Fock ab initio calculations showed that reactive CrxOyHz- species underwent nucleophilic attack by the incoming H2O molecules, which produced an initially formed adduct in which the water O was bound to a Cr center. The experimental and computational studies suggested that Cr2OyHz- species that have bi- or tricoordinated Cr centers are susceptible to attack by H2O; however, when the metal becomes tetracoordinate, reactivity stops. For the Cr2OyHz- anions the lowest energy structures all contained rhombic Cr2O2 rings with pendant O atoms and/or OH groups. The initially formed [Cr2Oy- + H2O] adducts underwent H rearrangement to a gem O atom to produce stable dihydroxy structures. The calculations indicated that

  13. Proton nuclear magnetic resonance in paramagnetic CoCl2.6H2O

    International Nuclear Information System (INIS)

    Oravcova, J.; Murin, J.; Rakos, M.; Olcak, D.

    1978-01-01

    Nuclear magnetic resonance (NMR) is studied of protons of the crystal water of paramagnetic CoCl 2 .6H 2 O. The measurements were carried out on powdered samples at room temperature, for values of the external magnetic field ranging from 0.3 to 1.0 T. The NMR signals of protons of the crystal water exhibit asymmetric shape which changes with the applied external magnetic field. We found that the second moment of the resonance line shows a linear dependence on the square of the induction of the externally applied magnetic field. The cause of the asymmetry of the NMR line of protons of the crystal water and the dependence of the second moment of the resonance line on the induction of external magnetic field are interpreted. (author)

  14. Crystal structure of (1S,2S,2′R,3a′S,5R-2′-[(5-bromo-1H-indol-3-ylmethyl]-2-isopropyl-5,5′-dimethyldihydro-2H-spiro[cyclohexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H-one

    Directory of Open Access Journals (Sweden)

    Siwar Ghannay

    2016-08-01

    Full Text Available In the title compound, C24H32BrN3O2, the six-membered cyclohexane ring adopts a chair conformation and the isoxasolidine ring adopts a twisted conformation. The molecule has five chiral centres and the absolute configuration has been determined in this analysis. The molecular structure is stabilized by weak intramolecular C—H...O and C—H...N contacts. In the crystal, molecules are linked by N—H...N and C—H...O hydrogen bonds, forming undulating sheets parallel to the bc plane.

  15. Poly[[[diisothiocyanatocobalt(II]-bis[μ-4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available In the title compound, {[Co(NCS2(C16H20N6O22C3H7NO·2H2O}n, each CoII ion located on an inversion center is six-coordinated by four equatorial N atoms from four different 4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol (L ligands, and by two N atoms from two axial thiocyanate anions [Co—N = 2.104 (3–2.144 (3 Å]. The metal centres are connected via the bidentate L ligands into two-dimensional polymeric layers parallel to bc plane. The dimethylformamide and solvent water molecules participate in intermolecular O—H...O and O—H...S hydrogen bonds, which consolidate the crystal packing.

  16. The first 3D malonate bridged copper [Cu(O2C–CH2–CO2H)2·2H2O]: Structure, properties and electronic structure

    International Nuclear Information System (INIS)

    Seguatni, A.; Fakhfakh, M.; Smiri, L.S.; Gressier, P.; Boucher, F.; Jouini, N.

    2012-01-01

    A new inorganic-organic compound [Cu(O 2 C–CH 2 –CO 2 H) 2 ·2H 2 O] ([Cumal]) was hydrothermally synthesized and characterized by IR spectroscopy, thermal analysis and single crystal X-ray diffraction. [Cumal] is the first three-dimensional compound existing in the system Cu(II)–malonic acid–H 2 O. Its framework is built up through carboxyl bridged copper where CuO 6 octahedra are elongated with an almost D 4h symmetry (4+2) due to the Jahn–Teller effect. The magnetic properties were studied by measuring its magnetic susceptibility in the temperature range of 2–300 K indicating the existence of weak ferromagnetic interactions. The electronic structure of [Cumal] was calculated within the density functional theory (DFT) framework. Structural features are well reproduced using DFT structural optimizations and the optical spectra, calculated within the dielectric formalism, explain very well the light blue colour of the compound. It is shown that a GGA+U approach with a U eff value of about 6 eV is necessary for a better correlation with the experiment. - Graphical abstract: [Cu(O 2 C–CH 2 –CO 2 H) 2 ·2H 2 O]: the first 3D hybrid organic–inorganic compound built up carboxyl groups. The network presents a diamond-like structure achieved via carboxyl. Highlights: ► A new organic–inorganic material with an unprecedented topology is synthesized. ► Crystallographic structure is determined using single crystal X-ray diffraction. ► Electronic structure is obtained from DFT, GGA+U calculation. ► Framework can be described as formed from CuC 4 tetrahedron sharing four corners. ► This structure can be classified as an extended diamond structure.

  17. Structures, energetics, vibrational spectra of NH4+ (H2O)(n=4,6) clusters: Ab initio calculations and first principles molecular dynamics simulations.

    Science.gov (United States)

    Karthikeyan, S; Singh, Jiten N; Park, Mina; Kumar, Rajesh; Kim, Kwang S

    2008-06-28

    Important structural isomers of NH(4) (+)(H(2)O)(n=4,6) have been studied by using density functional theory, Moller-Plesset second order perturbation theory, and coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. The zero-point energy (ZPE) correction to the complete basis set limit of the CCSD(T) binding energies and free energies is necessary to identify the low energy structures for NH(4) (+)(H(2)O)(n=4,6) because otherwise wrong structures could be assigned for the most probable structures. For NH(4) (+)(H(2)O)(6), the cage-type structure, which is more stable than the previously reported open structure before the ZPE correction, turns out to be less stable after the ZPE correction. In first principles Car-Parrinello molecular dynamics simulations around 100 K, the combined power spectrum of three lowest energy isomers of NH(4) (+)(H(2)O)(4) and two lowest energy isomers of NH(4) (+)(H(2)O)(6) explains each experimental IR spectrum.

  18. Annealing Effect on Photovoltaic Performance of CdSe Quantum-Dots-Sensitized TiO2 Nanorod Solar Cells

    Directory of Open Access Journals (Sweden)

    Yitan Li

    2012-01-01

    Full Text Available Large area rutile TiO2 nanorod arrays were grown on F:SnO2 (FTO conductive glass using a hydrothermal method at low temperature. CdSe quantum dots (QDs were deposited onto single-crystalline TiO2 nanorod arrays by a chemical bath deposition (CBD method to make a photoelectrode. The solar cell was assembled using a CdSe-TiO2 nanostructure as the photoanode and polysulfide solution as the electrolyte. The annealing effect on optical and photovoltaic properties of CdSe quantum-dots-sensitized TiO2 nanorod solar cells was studied systematically. A significant change of the morphology and a regular red shift of band gap of CdSe nanoparticles were observed after annealing treatment. At the same time, an improved photovoltaic performance was obtained for quantum-dots-sensitized solar cell using the annealed CdSe-TiO2 nanostructure electrode. The power conversion efficiency improved from 0.59% to 1.45% as a consequence of the annealing effect. This improvement can be explained by considering the changes in the morphology, the crystalline quality, and the optical properties caused by annealing treatment.

  19. [(H2O)(terpy)Mn(μ-O)2Mn(terpy)(OH2)](NO3)3 (terpy = 2,2′:6,2″-terpyridine) and its relevance to the oxygen-evolving complex of photosystem II examined through pH dependent cyclic voltametry

    Science.gov (United States)

    Cady, Clyde W.; Shinopoulos, Katherine E.; Crabtree, Robert H.; Brudvig, Gary W.

    2010-01-01

    Photosynthetic water oxidation occurs naturally at a tetranuclear manganese center in the photosystem II protein complex. Synthetically mimicking this tetramanganese center, known as the oxygen-evolving complex (OEC), has been an ongoing challenge of bioinorganic chemistry. Most past efforts have centered on water-oxidation catalysis using chemical oxidants. However, solar energy applications have drawn attention to electrochemical methods. In this paper, we examine the electrochemical behavior of the biomimetic water-oxidation catalyst [(H2O)(terpy)Mn(μ-O)2Mn(terpy)(H2O)](NO3)3 [terpy = 2,2′:6′,2″-terpyridine] (1) in water under a variety of pH and buffered conditions and in the presence of acetate that binds to 1 in place of one of the terminal water ligands. These experiments will show that 1 not only exhibits proton-coupled electron-transfer reactivity analogous to the OEC, but also may be capable of electrochemical oxidation of water to oxygen. PMID:20372724

  20. Low levels of iron enhance UV/H2O2 efficiency at neutral pH.

    Science.gov (United States)

    Ulliman, Sydney L; McKay, Garrett; Rosario-Ortiz, Fernando L; Linden, Karl G

    2018-03-01

    While the presence of iron is generally not seen as favorable for UV-based treatment systems due to lamp fouling and decreased UV transmittance, we show that low levels of iron can lead to improvements in the abatement of chemicals in the UV-hydrogen peroxide advanced oxidation process. The oxidation potential of an iron-assisted UV/H 2 O 2 (UV 254  + H 2 O 2  + iron) process was evaluated at neutral pH using iron levels below USEPA secondary drinking water standards (UV/H 2 O 2 systems. The effects of iron species (Fe 2+ and Fe 3+ ), iron concentration (0-0.3 mg/L), H 2 O 2 concentration (0-10 mg/L) and background water matrix (low-carbon tap (LCT) and well water) on HO production and compound removal were examined. Iron-assisted UV/H 2 O 2 efficiency was most influenced by the target chemical and the water matrix. Added iron to UV/H 2 O 2 was shown to increase the steady-state HO concentration by approximately 25% in all well water scenarios. While CBZ removal was unchanged by iron addition, 0.3 mg/L iron improved NDMA removal rates in both LCT and well water matrices by 15.1% and 4.6% respectively. Furthermore, the combination of UV/Fe without H 2 O 2 was also shown to enhance NDMA removal when compared to UV photolysis alone indicating the presence of degradation pathways other than HO oxidation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Synthesis and crystal structures of new complexes of Np(V) glycolate with 2,2'-bipyridine, [NpO2(C10H8N2)(OOC2H2OH)].1.5H2O and [NpO2(C10H8N2)(OOC2H2OH)].2.5H2O

    International Nuclear Information System (INIS)

    Charushnikova, I.A.; Krot, N.N.; Starikova, Z.A.

    2009-01-01

    Single crystals were prepared, and the structures of two complexes of Np(V) glycolate with 2,2'-bipyridine of the compositions [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)].1.5H 2 O (I) and [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)]2.5H 2 O (II) were studied. The structures of the compounds are based on neptunyl-glycolate chains in which the glycolate anion manifests its complexation ability in different manner. In structure I, the bidentate-bridging anion links the adjacent NpO 2 - cations through the oxygen atoms of the carboxylate group. The neptunyl-glycolate chains of I exhibits the mutual coordination of the NpO 2 - cations acting toward each other simultaneously as ligands and coordinating centers. In compound II, the glycolate anion is bidentately coordinated to one neptunium atom to form a planar five-membered metallocycle [NpOCCO]. The O atom external with respect to the metallocycle is in the coordination environment of the adjacent neptunyl. The nitrogen-containing molecular ligand Bipy is included into the coordination environment of Np. The coordination polyhedron of the Np atoms in both structures is a pentagonal bipyramid in which the average Np-N bond length is 2.666 Aa (I) and 2.596 Aa (II). (orig.)

  2. Sources of superoxide/H2O2 during mitochondrial proline oxidation

    Directory of Open Access Journals (Sweden)

    Renata L.S. Goncalves

    2014-01-01

    Full Text Available p53 Inducible gene 6 (PIG6 encodes mitochondrial proline dehydrogenase (PRODH and is up-regulated several fold upon p53 activation. Proline dehydrogenase is proposed to generate radicals that contribute to cancer cell apoptosis. However, there are at least 10 mitochondrial sites that can produce superoxide and/or H2O2, and it is unclear whether proline dehydrogenase generates these species directly, or instead drives production by other sites. Amongst six cancer cell lines, ZR75-30 human breast cancer cells had the highest basal proline dehydrogenase levels, and mitochondria isolated from ZR75-30 cells consumed oxygen and produced H2O2 with proline as sole substrate. Insects use proline oxidation to fuel flight, and mitochondria isolated from Drosophila melanogaster were even more active with proline as sole substrate than ZR75-30 mitochondria. Using mitochondria from these two models we identified the sites involved in formation of superoxide/H2O2 during proline oxidation. In mitochondria from Drosophila the main sites were respiratory complexes I and II. In mitochondria from ZR75-30 breast cancer cells the main sites were complex I and the oxoglutarate dehydrogenase complex. Even with combinations of substrates and respiratory chain inhibitors designed to minimize the contributions of other sites and maximize any superoxide/H2O2 production from proline dehydrogenase itself, there was no significant direct contribution of proline dehydrogenase to the observed H2O2 production. Thus proline oxidation by proline dehydrogenase drives superoxide/H2O2 production, but it does so mainly or exclusively by providing anaplerotic carbon for other mitochondrial dehydrogenases and not by producing superoxide/H2O2 directly.

  3. Nd(III) and Dy(III) coordination compounds based on 1H-tetrazolate-5-acetic acid ligands: Synthesis, crystal structures and catalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Li Qiaoyun; Chen Dianyu; He Minghua [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Yang Gaowen, E-mail: ygwsx@126.com [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Shen Lei; Zhai Chun; Shen Wei; Gu Kun; Zhao Jingjing [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China)

    2012-06-15

    Reactions of 1H-tetrazolate-5-acetic acid(H{sub 2}tza) with Nd(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O or Dy(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O with the presence of KOH under solvothermal conditions, produced two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)]. Both compounds were structurally characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. Compounds 1 and 2 reveal 1D structures via bridging tza as linker. Furthermore, the compounds 1 and 2 showed a specific and good catalytic behavior for the polymerization of styrene, and the polymerization showed controlled characteristics. - Graphical Abstract: Two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)] have been synthesis. 1 and 2 reveal 1D structures via bridging tza as linker, and showed a specific and good catalytic behavior for the polymerization of styrene. Highlights: Black-Right-Pointing-Pointer we have reported two novel compounds formed by H{sub 2}tza and Nd(III) or Dy(III). Black-Right-Pointing-Pointer Compounds 1 and 2 were found to have catalysis property for the photo-polymerization of styrene. Black-Right-Pointing-Pointer The high molecular weight polymers with narrow molecular weight distributions were obtained.

  4. Cr6+-containing phases in the system CaO-Al2O3-CrO42--H2O at 23 °C

    Science.gov (United States)

    Pöllmann, Herbert; Auer, Stephan

    2012-01-01

    Synthesis and investigation of lamellar calcium aluminium hydroxy salts was performed to study the incorporation of chromate ions in the interlayer of lamellar calcium aluminium hydroxy salts. Different AFm-phases (calcium aluminate hydrate with alumina, ferric oxide, mono-anion phase) containing chromate were synthesized. These AFm-phases belong to the group of layered double hydroxides (LDHs). 3CaO·Al2O3·CaCrO4·nH2O and C3A·1/2Ca(OH)2·1/2CaCrO4·12H2O were obtained as pure phases and their different distinct interlayer water contents and properties determined. Solid solution of chromate-containing phases and tetracalcium-aluminate-hydrate (TCAH) were studied. The uptake of chromate into TCAH from solutions was proven. Chromate contents in solution decrease to <0.2 mg/l.

  5. Photodegradation of amoxicillin by catalyzed Fe3+/H2O2 process

    Institute of Scientific and Technical Information of China (English)

    Xiaoming Li; Tingting Shen; Dongbo Wang; Xiu Yue; Xian Liu; Qi Yang; Jianbin Cao; Wei Zheng; Guangming Zeng

    2012-01-01

    Three oxidation processes of UV-Fe3+(EDTA)/H2O2 (UV:ultraviolet light; EDTA:ethylenediaminetetraacetic acid),UV-Fe3+/H2O2 and Fe3+/H2O2 were simultaneously investigated for the degradation of amoxicillin at pH 7.0.The results indicated that,100% amoxicillin degradation and 81.9% chemical oxygen demand (CODcr) removal could be achieved in the UV-Fe3+ (EDTA)/H2O2 process.The treatment efficiency of amoxicillin and CODcr removal were found to decrease to 59.0% and 43.0% in the UV-Fe3+/H2O2 process;39.6% and 31.3% in the Fe3+/H2O2 process.Moreover,the results of biodegradability (biological oxygen demand (BOD5)/CODCr ratio) revealed that the UV-Fe3+ (EDTA)/H2O2 process was a promising strategy to degrade amoxicillin as the biodegradability of the effluent was improved to 0.45,compared with the cases of UV-Fe3+/H2O2 (0.25) and Fe3+/H2O2 (0.10) processes.Therefore,it could be deduced that EDTA and UV light performed synergetic catalytic effect on the Fe3+/H2O2 process,enhancing the treatment efficiency.The degradation mechanisms were also investigated via UV-Vis spectra,and high performance liquid chromatography-mass spectra.The degradation pathway of amoxicillin was further proposed.

  6. (Acetato-κO(aqua-κO(2-{bis[(3,5-dimethyl-1H-pyrazol-1-yl-κN2methyl]amino-κN}ethanol-κOnickel(II perchlorate monohydrate

    Directory of Open Access Journals (Sweden)

    Jia Zhou

    2012-04-01

    Full Text Available In the structure of the title complex, [Ni(CH3CO2(C14H23N5O(H2O]ClOH2O, the NiII centre has a distorted octahedral environment defined by one O and three N atoms derived from the tetradentate ligand, and two O atoms, one from a water molecule and the other from an acetate anion. The molecules are connected into a three-dimensional architecture by O—H...O hydrogen bonds. The perchlorate anion is disordered over two positions; the major component has a site-occupancy factor of 0.525 (19.

  7. CdTe quantum dots functionalized with 4-amino-2,2,6,6-tetramethylpiperidine-N-oxide as luminescent nanoprobe for the sensitive recognition of bromide ion

    Energy Technology Data Exchange (ETDEWEB)

    Adegoke, Oluwasesan [Department of Chemistry, Rhodes University, Grahamstown 6140 (South Africa); Hosten, Eric; McCleland, Cedric [Department of Chemistry, Nelson Mandela Metropolitan University (South Campus), Port Elizabeth 6031 (South Africa); Nyokong, Tebello, E-mail: t.nyokong@ru.ac.za [Department of Chemistry, Rhodes University, Grahamstown 6140 (South Africa)

    2012-04-06

    Graphical abstract: A bromide ion-selective modified nanoprobe sensor based on 4-amino-2,2,6,6-tetramethylpiperidine-N-oxide (4AT)-functionalized CdTe quantum dots (QDs-4AT) showed a high selectivity and sensitivity for the determination of bromide ion using fluorescence recovery. Highlights: Black-Right-Pointing-Pointer Water soluble CdTe quantum dots interact with tetramethylpiperidine-N-oxide. Black-Right-Pointing-Pointer Quantum dots fluorescence is quenched by the radical. Black-Right-Pointing-Pointer In the presence of bromide ions the fluorescence is restored. Black-Right-Pointing-Pointer The sensor is more selective to bromine ions than other common ions. - Abstract: A novel bromide ion-selective modified nanoprobe sensor based on 4-amino-2,2,6,6-tetramethylpiperidine-N-oxide (4AT)-functionalized CdTe quantum dots (QDs-4AT) has been developed. Fluorescence quenching of the QDs by 4AT was observed. The functionalized QDs-4AT nanoprobe allowed a highly sensitive determination of bromide ion via analyte-induced change in the photoluminescence (fluorescence recovery) of the modified QDs. A detection limit of 0.6 nM of bromide ion was obtained, while the interfering effect of other inorganic cations and anions was investigated to examine the selectivity of the nanoprobe. The linear range was between 0.01 and 0.13 {mu}M. Combined fluorescence lifetime and electron paramagnetic resonance measurements confirmed electron transfer processes between bromide ion and QDs-4AT.

  8. Highly stable [mambf6-n(o/h2o)n(ligand)2(solvent)x]n metal organic frameworks

    KAUST Repository

    Eddaoudi, Mohamed; Adil, Karim; Belmabkhout, Youssef; Shekhah, Osama; Bhatt, Prashant M.; Cadiau, Amandine

    2016-01-01

    Provided herein are metal organic frameworks having high selectivity and stability in the present of gases and vapors including H2S, H2O, and CO2. Metal organic frameworks can comprise metal nodes and N-donor organic ligands. Further provided

  9. A sensitive turn on fluorescent probe for detection of biothiols using MnO2@carbon dots nanocomposites

    Science.gov (United States)

    Garg, Dimple; Mehta, Akansha; Mishra, Amit; Basu, Soumen

    2018-03-01

    Presently, the combination of carbon quantum dots (CQDs) and metal oxide nanostructures in one frame are being considered for the sensing of purine compounds. In this work, a combined system of CQDs and MnO2 nanostructures was used for the detection of anticancer drugs, 6-Thioguanine (6-TG) and 6-Mercaptopurine (6-MP). The CQDs were synthesized through microwave synthesizer and the MnO2 nanostructures (nanoflowers and nanosheets) were synthesized using facile hydrothermal technique. The CQDs exhibited excellent fluorescence emission at 420 nm when excited at 320 nm wavelength. By combining CQDs and MnO2 nanostructures, quenching of fluorescence was observed which was attributed to fluorescence resonance energy transfer (FRET) mechanism, where CQDs act as electron donor and MnO2 act as acceptor. This fluorescence quenching behaviour disappeared on the addition of 6-TG and 6-MP due to the formation of Mn-S bond. The detection limit for 6-TG (0.015 μM) and 6-MP (0.014 μM) was achieved with the linear range of concentration (0-50 μM) using both MnO2 nanoflowers and nanosheets. Moreover, the as-prepared fluorescence-sensing technique was successfully employed for the detection of bio-thiol group in enapril drug. Thus a facile, cost-effective and benign chemistry approach for biomolecule detection was designed.

  10. Label-Free Carbon-Dots-Based Ratiometric Fluorescence pH Nanoprobes for Intracellular pH Sensing.

    Science.gov (United States)

    Shangguan, Jingfang; He, Dinggeng; He, Xiaoxiao; Wang, Kemin; Xu, Fengzhou; Liu, Jinquan; Tang, Jinlu; Yang, Xue; Huang, Jin

    2016-08-02

    Measuring pH in living cells is of great importance for better understanding cellular functions as well as providing pivotal assistance for early diagnosis of diseases. In this work, we report the first use of a novel kind of label-free carbon dots for intracellular ratiometric fluorescence pH sensing. By simple one-pot hydrothermal treatment of citric acid and basic fuchsin, the carbon dots showing dual emission bands at 475 and 545 nm under single-wavelength excitation were synthesized. It is demonstrated that the fluorescence intensities of the as-synthesized carbon dots at the two emissions are pH-sensitive simultaneously. The intensity ratio (I475 nm/I545 nm) is linear against pH values from 5.2 to 8.8 in buffer solution, affording the capability as ratiometric probes for intracellular pH sensing. It also displays that the carbon dots show excellent reversibility and photostability in pH measurements. With this nanoprobe, quantitative fluorescence imaging using the ratio of two emissions (I475 nm/I545 nm) for the detection of intracellular pH were successfully applied in HeLa cells. In contrast to most of the reported nanomaterials-based ratiometric pH sensors which rely on the attachment of additional dyes, these carbon-dots-based ratiometric probes are low in toxicity, easy to synthesize, and free from labels.

  11. Size-controlled synthesis of SnO2 quantum dots and their gas-sensing performance

    Science.gov (United States)

    Du, Jianping; Zhao, Ruihua; Xie, Yajuan; Li, Jinping

    2015-08-01

    Tin dioxide quantum dots (TQDs) with controllable size were synthesized by changing the amount of alkaline reagent in the hydrothermal process. The gas-sensing properties were investigated by operating chemoresistor type sensor. The morphology and structure were characterized by X-ray diffraction, scanning/transmission electron microscopy, UV-vis and Raman spectrometry. The as-synthesized SnO2 shows the characteristics of quantum dots and the narrowest size distribution is about 2-3 nm. The gas-sensing results indicate that the responses are strongly dependent on the size of quantum dots. TQDs with different sizes exhibit different sensitivities and selectivities to volatile toxic chemicals such as aldehyde, acetone, methanol, ethanol and amine. Especially, when the sensors are exposed to 100 ppm triethylamine (TEA), the sensing response value of TQDs with small size is two times higher than that of the large-size TQDs. The maximum response values of TQDs to 1 ppm and 100 ppm TEA are 15 and 153, respectively. The response time is 1 s and the recovery time is 47 s upon exposure to 1 ppm TEA. The results suggest that it is an effective method by regulating the size of SnO2 quantum dots to detect low-concentration hazardous volatile compounds.

  12. Poly[[tetraaqua(μ3-naphthalene-1,6-disulfonato-κ4O1:O6,O6′:O6′′strontium(II] monohydrate

    Directory of Open Access Journals (Sweden)

    Shan Gao

    2011-12-01

    Full Text Available In the crystal structure of the polymeric title compound, {[Sr(C10H6O6S2(H2O4]·H2O}n, the naphthalene-1,6-disulfonate dianion uses one –SO3 unit to O,O′-chelate to an SrII cation and its third O atom to bind to another SrII cation. The other –SO3 unit binds to yet another SrII atom. The four coordinated water molecules are monodentate but one is disordered over two positions in a 1:1 ratio. The μ3-bonding mode of the dianion generates a polymeric three-dimensional network; the network is consolidated by O—H...O hydrogen bonds. The SrII cation exists in an undefined eight-coordinate environment.

  13. ZnO quantum dot-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity.

    Science.gov (United States)

    Lu, Yanghua; Wu, Zhiqian; Xu, Wenli; Lin, Shisheng

    2016-12-02

    A ZnO quantum dot  photo-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity of more than 1915 A W -1 and detectivity of more than 1.02 × 10 13 Jones (Jones = cm Hz 1/2 W -1 ) has been demonstrated. The interfaced h-BN layer increases the barrier height at the graphene/GaN heterojunction, which decreases the dark current and improves the on/off current ratio of the device. The photo-doping effect increases the barrier height and carrier concentration at the graphene/h-BN/GaN heterojunction, thus the responsivity is improved from 1473 A W -1 to 1915 A W -1 and the detectivity is improved from 5.8 × 10 12 to 1.0 × 10 13 Jones. Moreover, all of the responsivity and detectivity values are the highest values among all the graphene-based ultraviolet photodetectors.

  14. A model for radiolysis of water and aqueous solutions of H2, H2O2 and O2

    International Nuclear Information System (INIS)

    Ershov, B.G.; Gordeev, A.V.

    2008-01-01

    Kinetic model for the radiolysis of pure water describing the formation of H 2 , H 2 O 2 and O 2 and the radiation chemical transformations of aqueous solutions containing these compounds over a broad range of concentrations, pH, absorbed doses and dose rates is proposed and substantiated. The model includes a set of chemical reactions with optimized rate constants and the radiation chemical yields of radiolysis products. The model applicability to the description of the whole set of data on the radiation chemical transformations of water and aqueous solutions of H 2 , H 2 O 2 and O 2 is demonstrated

  15. Time-resolved pH/pO2 mapping with luminescent hybrid sensors.

    Science.gov (United States)

    Schröder, Claudia R; Polerecky, Lubos; Klimant, Ingo

    2007-01-01

    A method for simultaneous and referenced 2D mapping of pH and pO2 is described. The experimental setup combines a fast gateable CCD camera as detector, a LED as excitation light source and a single-layer sensor membrane as optical transducer. The planar optode comprises a lipophilic fluorescein derivative (lifetime approximately 5 ns) and platinum(II) mesotetrakis(pentafluorophenyl)porphyrin (approximately 70 micros in the absence of a quencher) immobilized in a hydrogel matrix. Depending on the fluorescent pH indicator, a pH transition in the physiological range (pH 6-pH 8) or in the near-basic region (pH 7-pH 9) can be achieved. The measuring scheme involves the time-resolved acquisition of images in three windows during a series of square-shaped excitation pulses. A method allowing the calculation of both parameters from these three images is presented. The pH/pO2 hybrid sensor incorporating the pH indicator 2',7'-dihexyl-5(6)-N-octadecyl-carboxamidofluorescein was characterized in detail. The pH and pO2 were determined with a maximum deviation of 0.03 pH unit and 6.5 hPa pO2, respectively, within the range of pH 7.6-pH 8.7 and 0-200 hPa pO2 in test measurements. The ionic strength (IS) cross-sensitivity was found to be relatively small (pH/IS pO2/IS pO2 images obtained in natural marine sediment are presented.

  16. Study of ZrO2-H2SO4-(NH4)2SO4(NH4Cl)-H2O systems

    International Nuclear Information System (INIS)

    Motov, D.L.; Sozinova, Yu.P.; Rys'kina, M.P.

    1988-01-01

    Regions of formation, composition and solubility of ammonium sulfatozirconates (ASZ) in ZrO 2 -H 2 SO 4 -(NH 4 ) 2 SO 4 (NH 4 Cl)-H 2 O systems at 25 and 75 deg C are studied by the isothermal method. Five ASZ: (NH 4 ) 2 Zr(OH) 2 (SO 4 ) 2 , NH 4 ZrOH(SO 4 ) 2 xH 2 O, NH 4 ZrO 0.5 (OH) 2 SO 4 x1.5H 2 O, (NH 4 ) 2 Zr(SO 4 ) 3 x2H 2 O, (NH 4 ) 4 Zr(SO 4 ) 4 x4H 2 O are detected, their properties are investigated. Main sulfates are new compounds never described ealier

  17. Vectorial electron transfer for improved hydrogen evolution by mercaptopropionic-acid-regulated CdSe quantum-dots-TiO2 -Ni(OH)2 assembly.

    Science.gov (United States)

    Yu, Shan; Li, Zhi-Jun; Fan, Xiang-Bing; Li, Jia-Xin; Zhan, Fei; Li, Xu-Bing; Tao, Ye; Tung, Chen-Ho; Wu, Li-Zhu

    2015-02-01

    A visible-light-induced hydrogen evolution system based on a CdSe quantum dots (QDs)-TiO2 -Ni(OH)2 ternary assembly has been constructed under an ambient environment, and a bifunctional molecular linker, mercaptopropionic acid, is used to facilitate the interaction between CdSe QDs and TiO2 . This hydrogen evolution system works effectively in a basic aqueous solution (pH 11.0) to achieve a hydrogen evolution rate of 10.1 mmol g(-1)  h(-1) for the assembly and a turnover frequency of 5140 h(-1) with respect to CdSe QDs (10 h); the latter is comparable with the highest value reported for QD systems in an acidic environment. X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, and control experiments demonstrate that Ni(OH)2 is an efficient hydrogen evolution catalyst. In addition, inductively coupled plasma optical emission spectroscopy and the emission decay of the assembly combined with the hydrogen evolution experiments show that TiO2 functions mainly as the electron mediator; the vectorial electron transfer from CdSe QDs to TiO2 and then from TiO2 to Ni(OH)2 enhances the efficiency for hydrogen evolution. The assembly comprises light antenna CdSe QDs, electron mediator TiO2 , and catalytic Ni(OH)2 , which mimics the strategy of photosynthesis exploited in nature and takes us a step further towards artificial photosynthesis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Crystal structures of NiSO4·9H2O and NiSO4·8H2O: magnetic properties, stability with respect to morenosite (NiSO4·7H2O), the solid-solution series (Mg x Ni1-x )SO4·9H2O

    Science.gov (United States)

    Fortes, A. D.; Knight, K. S.; Gibbs, A. S.; Wood, I. G.

    2018-02-01

    Since being discovered initially in mixed-cation systems, a method of forming end-member NiSO4·9H2O and NiSO4·8H2O has been found. We have obtained powder diffraction data from protonated analogues (with X-rays) and deuterated analogues (using neutrons) of these compounds over a range of temperatures, allowing us to determine their crystal structures—including all H-atoms—and to characterise the transitions on warming from 220 to 278 K; glass → 9-hydrate → 8-hydrate + ice → 7-hydrate + ice → partial melt (7-hydrate + liquid). NiSO4·8D2O is triclinic, space-group P\\bar {1} , Z = 2, with unit cell parameters at 150 K, a = 6.12463(8) Å, b = 6.8401(1) Å, c = 12.5339(2) Å, α = 92.846(1)°, β = 97.822(1)°, γ = 96.627(1)° and V = 515.58(1) Å3. The structure consists of two symmetry-inequivalent Ni(D2O)6 octahedra on sites of \\bar {1} symmetry. These are directly joined by a water-water H-bond to form chains of octahedra parallel with the c-axis at x = 0. Two interstitial water molecules serve both to bridge the Ni(D2O)6 octahedral chains in the b-c plane and also to connect with the SO4 2- tetrahedral oxyanion. These tetrahedra are linked by the two interstitial water molecules in a reticular motif to form sheets perpendicular to c. NiSO4·9D2O is monoclinic, space-group P21/c, Z = 4, with unit-cell parameters at 150 K, a = 6.69739(6) Å, b = 11.8628(1) Å, c = 14.5667(1) Å, β = 94.9739(8)° and V = 1152.96(1) Å3. The structure is isotypic with the Mg analogue described elsewhere (Fortes et al., Acta Cryst B 73:47‒64, 2017b). It shares the motif of H-bonded octahedral chains with NiSO4·8D2O, although in the enneahydrate these run parallel with the b-axis at x = 0. Three interstitial water molecules bridge the Ni(D2O)6 octahedra to the SO4 2- tetrahedral oxyanion. The tetrahedra sit at x ≈ 0.5 and are linked by two of the three interstitial water molecules in a pentagonal motif to form ribbons parallel with b. A solid-solution series

  19. Sensitivity of Mesoporous CoSb2O6 Nanoparticles to Gaseous CO and C3H8 at Low Temperatures

    Directory of Open Access Journals (Sweden)

    Héctor Guillén-Bonilla

    2015-01-01

    Full Text Available Mesoporous CoSb2O6 nanoparticles, synthesized through a nonaqueous method (using cobalt nitrate, antimony trichloride, ethylenediamine, and ethanol as a solvent, were tested to establish their sensitivity to CO and C3H8 atmospheres at relatively low temperatures. The precursor material was dried at 200°C and calcined at 600°C. X-ray diffraction and scanning electron microscopy were employed to verify the existence of crystal phases (P42/mnm and the morphology of this trirutile-type CoSb2O6 oxide. Pyramidal and cubic shaped crystals (average size: 41.1 nm, embedded in the material’s surface, were identified. Mesopores (average size: 6.5 nm on the nanoparticles’ surface were observed by means of transmission electron microscopy. The best sensitivity of the CoSb2O6 in a CO atmosphere was at the relatively low temperatures of 250 and 350°C, whereas, in a C3H8 atmosphere, the sensitivity increased uniformly with temperature. These results encourage using the CoSb2O6 nanoparticles as gas sensors.

  20. A Strategy to Enhance the Efficiency of Quantum Dot-Sensitized Solar Cells by Decreasing Electron Recombination with Polyoxometalate/TiO2 as the Electronic Interface Layer.

    Science.gov (United States)

    Chen, Li; Chen, Weilin; Li, Jianping; Wang, Jiabo; Wang, Enbo

    2017-07-21

    Electron recombination occurring at the TiO 2 /quantum dot sensitizer/electrolyte interface is the key reason for hindering further efficiency improvements to quantum dot sensitized solar cells (QDSCs). Polyoxometalate (POM) can act as an electron-transfer medium to decrease electron recombination in a photoelectric device owing to its excellent oxidation/reduction properties and thermostability. A POM/TiO 2 electronic interface layer prepared by a simple layer-by-layer self-assembly method was added between fluorine-doped tin oxide (FTO) and mesoporous TiO 2 in the photoanode of QDSCs, and the effect on the photovoltaic performance was systematically investigated. Photovoltaic experimental results and the electron transmission mechanism show that the POM/TiO 2 electronic interface layer in the QDSCs can clearly suppress electron recombination, increase the electron lifetime, and result in smoother electron transmission. In summary, the best conversion efficiency of QDSCs with POM/TiO 2 electronic interface layers increases to 8.02 %, which is an improvement of 25.1 % compared with QDSCs without POM/TiO 2 . This work first builds an electron-transfer bridge between FTO and the quantum dot sensitizer and paves the way for further improved efficiency of QDSCs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Piezoelectric ceramic material, containing PbNb2O6, K2Nb2O6

    International Nuclear Information System (INIS)

    Fesenko, E.G.; Filip'ev, V.S.; Razumovskaya, O.N.; Cherner, Ya.E.; Rudkovskaya, L.M.; Zav'yalov, V.P.; Molchanova, R.A.; Kryshtop, V.G.; Panich, A.E.; Servuli, V.A.

    1984-01-01

    A new piezoelectric ceramic material including PbNb 2 O 6 , K 2 Nb 2 O 6 is prepared. Above the new material contains Nb 2 O 5 . The invention relates to piezotechnique. The principal advantage of this material for acoustic converters is high anisotropy of piezoelectric properties as well as high Curie temperature (T C =539-553 deg C). The composition containing 93.96 mole% PbNb 2 O 6 ; 2.48 mole% K 2 Nb 2 O 6 and 3.56 mole% Nb 2 O 5 has optimum content of parameters

  2. Controlled Surface Modification of Polyamide 6.6 Fibres Using CaCl2/H2O/EtOH Solutions

    Directory of Open Access Journals (Sweden)

    Barbara Rietzler

    2018-02-01

    Full Text Available Polyamide 6.6 is one of the most widely used polymers in the textile industry due to its durability; however, it has rather limited modification potential. In this work, the controlled surface modification of polyamide 6.6 fibres using the solvent system CaCl2/H2O/EtOH was studied. The effects of solvent composition (relative proportions of the three components and treatment time on fibre properties were studied both in situ (with fibres in solvent and ex situ (after the solvent was washed off. The fibres swell and/or dissolve in the solvent depending on its composition and the treatment time. We believe that the fibre–solvent interaction is through complex formation between the fibre carbonyl groups and the CaCl2. On washing, there is decomplexation and precipitation of the polymer. The treated fibres exhibit greater diameters and surface roughness, structural difference between an outer shell and an inner core is observable, and water retention is higher. The solvent system is more benign than current alternatives, and through suitable tailoring of the treatment conditions, e.g., composition and time, it may be used in the design of advanced materials for storage and release of active substances.

  3. Synthesis and Electrocatalytic Activity of Ammonium Nickel Phosphate, [NH4]NiPO4·6H2O, and β-Nickel Pyrophosphate, β-Ni2P2O7: Catalysts for Electrocatalytic Decomposition of Urea.

    Science.gov (United States)

    Meguerdichian, Andrew G; Jafari, Tahereh; Shakil, Md R; Miao, Ran; Achola, Laura A; Macharia, John; Shirazi-Amin, Alireza; Suib, Steven L

    2018-02-19

    Electrocatalytic decomposition of urea for the production of hydrogen, H 2, for clean energy applications, such as in fuel cells, has several potential advantages such as reducing carbon emissions in the energy sector and environmental applications to remove urea from animal and human waste facilities. The study and development of new catalyst materials containing nickel metal, the active site for urea decomposition, is a critical aspect of research in inorganic and materials chemistry. We report the synthesis and application of [NH 4 ]NiPO 4 ·6H 2 O and β-Ni 2 P 2 O 7 using in situ prepared [NH 4 ] 2 HPO 4 . The [NH 4 ]NiPO 4 ·6H 2 O is calcined at varying temperatures and tested for electrocatalytic decomposition of urea. Our results indicate that [NH 4 ]NiPO 4 ·6H 2 O calcined at 300 °C with an amorphous crystal structure and, for the first time applied for urea electrocatalytic decomposition, had the greatest reported electroactive surface area (ESA) of 142 cm 2 /mg and an onset potential of 0.33 V (SCE) and was stable over a 24-h test period.

  4. Borate mineral assemblages in the system Na2OCaOMgOB2O3H2O

    Science.gov (United States)

    Christ, C.L.; Truesdell, A.H.; Erd, Richard C.

    1967-01-01

    he significant known hydrated borate mineral assemblages (principally of the western United States) in the system Na2OCaOz.sbnd;MgOB2O3H2O are expressible in three ternary composition diagrams. Phase rule interpretation of the diagrams is consistent with observation, if the activity of H2O is generally considered to be determined by the geologic environment. The absence of conflicting tie-lines on a diagram indicates that the several mineral assemblages of the diagram were formed under relatively narrow ranges of temperature and pressure. The known structural as well as empirical formulas for the minerals are listed, and the more recent (since 1960) crystal structure findings are discussed briefly. Schematic Gibbs free energy-composition diagrams based on known solubility-temperature relations in the systems Na2B4O7-H2O and Na2B4O7-NaCl-H2O, are highly useful in the interpretation and prediction of the stability relations in these systems; in particular these diagrams indicate clearly that tincalconite, although geologically important, is everywhere a metastable phase. Crystal-chemical considerations indicate that the same thermodynamic and kinetic behavior observed in the Na2B4O7-H2O system will hold in the Ca2B6O11-H2O system. This conclusion is confirmed by the petrologic evidence. The chemical relations among the mineral assemblages of a ternary diagram are expressed by a schematic "activity-activity" diagram. These activity-activity diagrams permit the tracing-out of the paragenetic sequences as a function of changing cation and H2O activities. ?? 1967.

  5. Topology-energy relationships and lowest energy configurations for pentagonal dodecahedral (H2O)20X clusters, X=empty, H2O, NH3, H3O+: The importance of O-topology

    Science.gov (United States)

    Anick, David J.

    2010-04-01

    For (H2O)20X water clusters consisting of X enclosed by the 512 dodecahedral cage, X=empty, H2O, NH3, and H3O+, databases are made consisting of 55-82 isomers optimized via B3LYP/6-311++G∗∗. Correlations are explored between ground state electronic energy (Ee) or electronic energy plus zero point energy (Ee+ZPE) and the clusters' topology, defined as the set of directed H-bonds. Linear regression is done to identify topological features that correlate with cluster energy. For each X, variables are found that account for 99% of the variance in Ee and predict it with a rms error under 0.2 kcal/mol. The method of analysis emphasizes the importance of an intermediate level of structure, the "O-topology," consisting of O-types and a list of O pairs that are bonded but omitting H-bond directions, as a device to organize the databases and reduce the number of structures one needs to consider. Relevant variables include three parameters, which count the number of H-bonds having particular donor and acceptor types; |M|2, where M is the cluster's vector dipole moment; and the projection of M onto the symmetry axis of X. Scatter diagrams for Ee or Ee+ZPE versus |M| show that clusters fall naturally into "families" defined by the values of certain discrete parameters, the "major parameters," for each X. Combining "family" analysis and O-topologies, a small group of clusters is identified for each X that are candidates to be the global minimum, and the minimum is determined. For X=H3O+, one cluster with central hydronium lies just 2.08 kcal/mol above the lowest isomer with surface hydronium. Implications of the methodology for dodecahedral (H2O)20(NH4+) and (H2O)20(NH4+)(OH-) are discussed, and new lower energy isomers are found. For MP2/TZVP, the lowest-energy (H2O)20(NH4+) isomer features a trifurcated H-bond. The results suggest a much more efficient and comprehensive way of seeking low-energy water cluster geometries that may have wide applicability.

  6. Environmental risk assessment of engineered nano-SiO2 , nano iron oxides, nano-CeO2 , nano-Al2 O3 , and quantum dots.

    Science.gov (United States)

    Wang, Yan; Nowack, Bernd

    2018-05-01

    Many research studies have endeavored to investigate the ecotoxicological hazards of engineered nanomaterials (ENMs). However, little is known regarding the actual environmental risks of ENMs, combining both hazard and exposure data. The aim of the present study was to quantify the environmental risks for nano-Al 2 O 3 , nano-SiO 2 , nano iron oxides, nano-CeO 2 , and quantum dots by comparing the predicted environmental concentrations (PECs) with the predicted-no-effect concentrations (PNECs). The PEC values of these 5 ENMs in freshwaters in 2020 for northern Europe and southeastern Europe were taken from a published dynamic probabilistic material flow analysis model. The PNEC values were calculated using probabilistic species sensitivity distribution (SSD). The order of the PNEC values was quantum dots nano-CeO 2  nano iron oxides nano-Al 2 O 3  nano-SiO 2 . The risks posed by these 5 ENMs were demonstrated to be in the reverse order: nano-Al 2 O 3  > nano-SiO 2  > nano iron oxides > nano-CeO 2  > quantum dots. However, all risk characterization values are 4 to 8 orders of magnitude lower than 1, and no risk was therefore predicted for any of the investigated ENMs at the estimated release level in 2020. Compared to static models, the dynamic material flow model allowed us to use PEC values based on a more complex parameterization, considering a dynamic input over time and time-dependent release of ENMs. The probabilistic SSD approach makes it possible to include all available data to estimate hazards of ENMs by considering the whole range of variability between studies and material types. The risk-assessment approach is therefore able to handle the uncertainty and variability associated with the collected data. The results of the present study provide a scientific foundation for risk-based regulatory decisions of the investigated ENMs. Environ Toxicol Chem 2018;37:1387-1395. © 2018 SETAC. © 2018 SETAC.

  7. Highly stable [mambf6-n(o/h2o)n(ligand)2(solvent)x]n metal organic frameworks

    KAUST Repository

    Eddaoudi, Mohamed

    2016-10-13

    Provided herein are metal organic frameworks having high selectivity and stability in the present of gases and vapors including H2S, H2O, and CO2. Metal organic frameworks can comprise metal nodes and N-donor organic ligands. Further provided are methods of making metal organic frameworks.

  8. Optical detection of organophosphorus compounds based on Mn-doped ZnSe d-dot enzymatic catalytic sensor.

    Science.gov (United States)

    Gao, Xue; Tang, Guangchao; Su, Xingguang

    2012-01-01

    In this paper, we report a sensitive and selective method for detection of organophosphorus compounds (OPs) based on Mn:ZnSe d-dots-enzyme-hydrogen peroxide (H(2)O(2)) fluorescence quenching system. Acetylcholine esterase (AChE) can hydrolyze acetylcholine (ACh) to choline. Subsequently, choline oxidase (ChOx) oxidizes choline to generate H(2)O(2). The enzyme-generated H(2)O(2) can quench the fluorescence of Mn:ZnSe d-dots. When paraoxon are introduced in solution, it can interact with the active centers of AChE and decrease the enzyme activity. This leads to the decrease of the H(2)O(2) production and then the fluorescence quenching rate of Mn:ZnSe d-dots. Experimental results showed that the enzyme inhibition percentage of Mn:ZnSe d-dots-ChOx-AChE-ACh system was proportional to the logarithm of paraoxon in the range 4.84×10(-11) to 4.84×10(-6) mol/L with the detection limit (S/N=3) of 1.31×10(-11) mol/L. The proposed biosensor has been employed for quick determination of paraoxon in tap water and milk samples with satisfactory reproducibility and accuracy. This nano-biosensor was proved to be sensitive, rapid, simple and tolerance of most interfering substances. Copyright © 2012 Elsevier B.V. All rights reserved.

  9. The investigation of adsorption and dissociation of H{sub 2}O on Li{sub 2}O (111) by ab initio theory

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Xianggang [Institute of Atom and Molecular physics, Sichuan University, Chengdu, 610065 (China); Yu, You [College of Optoelectronic Technology, Chengdu University of Information Technology, Chengdu, 610225 (China); Ma, Shenggui [Institute of Atom and Molecular physics, Sichuan University, Chengdu, 610065 (China); Gao, Tao, E-mail: gaotao@scu.edu.cn [Institute of Atom and Molecular physics, Sichuan University, Chengdu, 610065 (China); Lu, Tiecheng [Department of Physics and Key Laboratory for Radiation Physics & Technology of Ministry of Education, Sichuan University, Chengdu, 610065 (China); Xiao, Chengjian; Chen, Xiaojun [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang, 621900 (China); Zhang, Chuanyu [College of Geophysics, Chengdu University of Technology, Chengdu, 610059 (China)

    2017-06-15

    Highlights: • The adsorption structures of H{sub 2}O on Li{sub 2}O (111) are obtained by calculations. • By Bader charge analysis, the charge translation from slab to adsorbate is found. • The vibrational frequencies of adsorbate are in line with the experimental values. - Abstract: The adsorption and dissociation mechanism of H{sub 2}O molecule on the Li{sub 2}O (111) surface have been systematically studied by using the density functional theory calculations. The parallel and vertical configurations of H{sub 2}O at six different symmetry adsorption sites on the Li{sub 2}O (111) surface are considered. In our calculations, it is suggested that H{sub 2}O can dissociate on the perfect Li{sub 2}O surface, of which the corresponding adsorption energy is 1.118 eV. And the adsorption energy decrease to be 0.241 eV when oxygen atom of H{sub 2}O bonds to lithium atom of the slab. The final configurations are sensitive to the initial molecular orientation. By Bader charge analysis, the charge transfer from slab to adsorbed H{sub 2}O/OH can be found due to the downward shift of lowest-unoccupied molecular orbital. We also analyze the vibrational frequencies at the Brillouin Zone centre for H{sub 2}O molecule adsorbed on the stoichiometric surface. Due to the slightly different structure parameters, the calculated values of the vibrational frequencies of hydroxyl group range from 3824 to 3767 cm{sup −1}. Our results agree well with experimental results performed in FT-IR spectrum, which showed that an absorption peak of OH group appeared at 3677 cm{sup −1} at room temperature.

  10. Synthesis and crystal structure of 4-fluorobenzylammonium dihydrogen phosphate, [FC6H4CH2NH3]H2PO4

    Directory of Open Access Journals (Sweden)

    Ali Rayes

    2016-12-01

    Full Text Available The asymmetric unit of the title salt, [p-FC6H4CH2NH3]+·H2PO4−, contains one 4-fluorobenzylammonium cation and one dihydrogen phosphate anion. In the crystal, the H2PO4− anions are linked by O—H...O hydrogen bonds to build corrugated layers extending parallel to the ab plane. The FC6H4CH2NH3+ cations lie between these anionic layers to maximize the electrostatic interactions and are linked to the H2PO4− anions through N—H...O hydrogen bonds, forming a three-dimensional supramolecular network. Two hydrogen atoms belonging to the dihydrogen phosphate anion are statistically occupied due to disorder along the OH...HO direction.

  11. (E-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylideneamino]pyrimidine-2,4(1H,3H-dione

    Directory of Open Access Journals (Sweden)

    Irvin Booysen

    2011-09-01

    Full Text Available In the title compound, C12H13N5O2, a Schiff-base-derived chelate ligand, the non-aromatic heterocycle and its substituents essentially occupy one common plane (r.m.s. of fitted non-H atoms = 0.0503 Å. The N=C bond is E-configured. Intracyclic angles in the pyridine moiety cover the range 117.6 (2–124.1 (2°. Intra- and intermolecular N—H...N and N—H...O hydrogen bonds are observed in the crystal structure, as are intra- and intermolecular C—H...O contacts which, in total, connect the molecules into a three-dimensional network. The shortest ring-centroid-to-ring-centroid distance of 3.5831 (14 Å is between the two different types of six-membered rings.

  12. Determination and modeling for the solubility of Na_2WO_4·2H_2O and Na_2MoO_4·2H_2O in the (Na"+ + MoO_4"2"− + WO_4"2"− + SO_4"2"− + H_2O) system

    International Nuclear Information System (INIS)

    Ning, Pengge; Xu, Weifeng; Cao, Hongbin; Xu, Hongbin

    2016-01-01

    Highlights: • The solubility of Na_2MoO_4·2H_2O and Na_2WO_4·2H_2O in Na_2MoO_4–Na_2WO_4–Na_2SO_4–H_2O were performed. • The solubility of sodium tungstate dihydrate in Na_2WO_4–Na_2SO_4–H_2O was determined. • The new model was established via regressing the published and the determined data. • The Pitzer parameter and the solubility product constant of the salt in solution were calculated. • The model was used to estimate the solubility of the sodium molybdate and sodium tungstate. - Abstract: The solubility of sodium tungstate dihydrate and sodium molybdate dihydrate in the (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) system was studied using experimental and calculated methods. The osmotic coefficient of sodium tungstate was fitted to calculate the thermodynamics parameters of (Na_2WO_4 + H_2O) system. The solubility of sodium tungstate dihydrate was determined using the dynamic method in Na_2WO_4–Na_2SO_4–H_2O to establish the new model which can provide an estimate the solubility of sodium tungstate dihydrate in various conditions, combined with the data published, the solubility of sodium tungstate dihydrate and the sodium molybdate dihydrate in quaternary system of (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) was estimated using the parameters of the two ternary systems of (Na_2WO_4 + Na_2SO_4 + H_2O) and (Na_2MoO_4 + Na_2SO_4 + H_2O). The results show that the AARD is always small and the calculated value is basically consistent with the experimental values for the system studied.

  13. Antiapoptotic effects of caspase inhibitors on H2O2-treated lung cancer cells concerning oxidative stress and GSH.

    Science.gov (United States)

    Park, Woo Hyun

    2018-04-01

    Exogenous hydrogen peroxide (H 2 O 2 ) induces oxidative stress and apoptosis in cancer cells. This study evaluated the antiapoptotic effects of pan-caspase and caspase-3, -8, or -9 inhibitors on H 2 O 2 -treated Calu-6 and A549 lung cancer cells in relation to reactive oxygen species (ROS) and glutathione (GSH). Treatment with 50-500 μM H 2 O 2 inhibited the growth of Calu-6 and A549 cells at 24 h and induced apoptosis in these cells. All the tested caspase inhibitors significantly prevented cell death in H 2 O 2 -treated lung cancer cells. H 2 O 2 increased intracellular ROS levels, including that of O 2 ·- , at 1 and 24 h. It also increased the activity of catalase but decreased the activity of SOD. In addition, H 2 O 2 triggered GSH deletion in Calu-6 and A549 cells at 24 h. It reduced GSH levels in Calu-6 cells at 1 h but increased them at 24 h. Caspase inhibitors decreased O 2 ·- levels in H 2 O 2 -treated Calu-6 cells at 1 h and these inhibitors decreased ROS levels, including that of O 2 ·- , in H 2 O 2 -treated A549 cells at 24 h. Caspase inhibitors partially attenuated GSH depletion in H 2 O 2 -treated A549 cells and increased GSH levels in these cells at 24 h. However, the inhibitors did not affect GSH deletion and levels in Calu-6 cells at 24 h. In conclusion, H 2 O 2 induced caspase-dependent apoptosis in Calu-6 and A549 cells, which was accompanied by increases in ROS and GSH depletion. The antiapoptotic effects of caspase inhibitors were somewhat related to the suppression of H 2 O 2 -induced oxidative stress and GSH depletion.

  14. Synthesis of quinoxaline derivatives via condensation of aryl-1,2-diamines with 1,2-diketones using (NH4)6 Mo7 O24 . 4 H2 O as an efficient, mild and reusable catalyst

    International Nuclear Information System (INIS)

    Hasaninejad, A.; Zare, A.; Mohammadizadeh, M. R.; Karami, Z.

    2009-01-01

    Ammonium heptamolybdate tetrahydrate [(NH 4 ) 6 Mo 7 O 24. 4H 2 O] efficiently catalyzes the condensation of aryl-1,2-diamines with l,2-diketones in EtOH/H 2 O as a green media at room temperature to afford quinoxaline derivatives as biologically interesting compounds. Ease of recycling of the catalyst is one of the most advantages of the proposed method

  15. A Novel Ruthenium-Decorating Polyoxomolybdate Cs3Na6H[MoVI14RuIV2O50(OH2]·24H2O: An Active Heterogeneous Oxidation Catalyst for Alcohols

    Directory of Open Access Journals (Sweden)

    Rong Wan

    2018-01-01

    Full Text Available The first example of wholly inorganic ruthenium-containing polyoxomolybdate Cs3Na6H[MoVI14RuIV2O50(OH2]·24H2O (1 was isolated and systematically characterized by element analysis, infrared spectroscopy (IR, thermogravimetric analyses (TGA, X-ray photoelectron spectroscopy (XPS, energy dispersive X-ray spectroscopy (EDX and single-crystal X-ray diffraction. Compound 1 is composed of an unprecedented {Mo14}-type isopolymolybdate with a di-ruthenium core precisely encapsulated in its center, exhibiting a three-tiered ladder-like structure. The title compound can act as an efficient heterogeneous catalyst in the transformation of 1-phenylethanol to acetophenone. This catalyst is also capable of being recycled and reused for at least ten cycles with its activity being retained under the optimal conditions.

  16. 1-O-Acetyl-3,4,6-tri-O-benzyl-2-C-bromomethyl-2-deoxy-α-d-glucopyranose

    Directory of Open Access Journals (Sweden)

    Henok H. Kinfe

    2013-01-01

    Full Text Available In the title compound, C30H33BrO6, the pyranose ring adopts a chair conformation. Two of the O-benzyl phenyl rings lie almost perpendicular to C/C/C/O plane formed by the ring atoms not attached to these O-benzyl phenyl rings, and form dihedral angles of 85.1 (2 and 64.6 (2°, while the third O-benzyl phenyl ring is twisted so that it makes a dihedral angle 34.9 (2° to this C/C/C/O plane. This twist is ascribed to the formation of an S(8 loop stabilized by a weak intramolecular C—H...O hydrogen bond.

  17. Single-molecule magnets: structure and properties of [Mn18O14(O2CMe)18(hep)4(hepH)2(H2O)2](ClO4)2 with spin S = 13.

    Science.gov (United States)

    Brechin, E K; Sañudo, E C; Wernsdorfer, W; Boskovic, C; Yoo, J; Hendrickson, D N; Yamaguchi, A; Ishimoto, H; Concolino, T E; Rheingold, A L; Christou, G

    2005-02-07

    The reaction of 2-(hydroxyethyl)pyridine (hepH) with a 2:1 molar mixture of [Mn3O(O2CMe)6(py)3]ClO4 and [Mn3O(O2CMe)6(py)3] in MeCN afforded the new mixed-valent (16Mn(III), 2Mn(II)), octadecanuclear complex [Mn18O14(O2CMe)18(hep)4(hepH)2(H2O)2](ClO4)2 (1) in 20% yield. Complex 1 crystallizes in the triclinic space group P. Direct current magnetic susceptibility studies in a 1.0 T field in the 5.0-300 K range, and variable-temperature variable-field dc magnetization studies in the 2.0-4.0 K and 2.0-5.0 T ranges were obtained on polycrystalline samples. Fitting of magnetization data established that complex 1 possesses a ground-state spin of S = 13 and D = -0.18 K. This was confirmed by the value of the in-phase ac magnetic susceptibility signal. Below 3 K, the complex exhibits a frequency-dependent drop in the in-phase signal, and a concomitant increase in the out-of-phase signal, consistent with slow magnetization relaxation on the ac time scale. This suggests the complex is a single-molecule magnet (SMM), and this was confirmed by hysteresis loops below 1 K in magnetization versus dc field sweeps on a single crystal. Alternating current and direct current magnetization data were combined to yield an Arrhenius plot from which was obtained the effective barrier (U(eff)) for magnetization reversal of 21.3 K. Below 0.2 K, the relaxation becomes temperature-independent, consistent with relaxation only by quantum tunneling of the magnetization (QTM) through the anisotropy barrier via the lowest-energy MS = +/-13 levels of the S = 13 spin manifold. Complex 1 is thus the SMM with the largest ground-state spin to display QTM.

  18. Tiberiobardiite, Cu9Al(SiO3OH2(OH12(H2O6(SO41.5·10H2O, a New Mineral Related to Chalcophyllite from the Cretaio Cu Prospect, Massa Marittima, Grosseto (Tuscany, Italy: Occurrence and Crystal Structure

    Directory of Open Access Journals (Sweden)

    Cristian Biagioni

    2018-04-01

    Full Text Available The new mineral species tiberiobardiite, ideally Cu9Al(SiO3OH2(OH12(H2O6(SO41.5·10H2O, has been discovered in the Cretaio Cu prospect, Massa Marittima, Grosseto, Tuscany, Italy, as very rare, light green, vitreous, tabular {0001}, pseudo-hexagonal crystals, up to 200 μm in size and 5 μm in thickness, associated with brochantite. Electron microprobe analysis gave (in wt %, average of 5 spot analyses: SO3 10.37, P2O5 3.41, As2O5 0.05, SiO2 8.13, Al2O3 5.54, Fe2O3 0.74, CuO 62.05, and ZnO 0.03, for a total of 90.32. Based on an idealized O content of 42 atoms per formula unit, assuming the presence of 16 H2O groups and 13.5 cations (without H, the empirical formula of tiberiobardiite is (Cu8.69Al0.21Fe0.10Σ9.00Al1.00(Si1.51P0.54Σ2.05S1.44O12.53(OH13.47·16H2O. The main diffraction lines, corresponding to multiple hkl indices, are [d in Å (relative visual intensity]: 9.4 (s, 4.67 (s, 2.576 (m, 2.330 (m, and 2.041 (mw. The crystal structure study revealed tiberiobardiite to be trigonal, space group R 3 ¯ , with unit-cell parameters a = 10.6860(4, c = 28.3239(10 Å, V = 2801.0(2 Å3, and Z = 3. The crystal structure was refined to a final R1 = 0.060 for 1747 reflections with Fo > 4σ (Fo and 99 refined parameters. Tiberiobardiite is the Si-analogue of chalcophyllite, with Si4+ replacing As5+ through the coupled substitution As5+ + O2− = Si4+ + (OH−. The name tiberiobardiite honors Tiberio Bardi (b. 1960 for his contribution to the study of the mineralogy of Tuscany.

  19. Water Ice Radiolytic O2, H2, and H2O2 Yields for Any Projectile Species, Energy, or Temperature: A Model for Icy Astrophysical Bodies

    Science.gov (United States)

    Teolis, B. D.; Plainaki, C.; Cassidy, T. A.; Raut, U.

    2017-10-01

    O2, H2, and H2O2 radiolysis from water ice is pervasive on icy astrophysical bodies, but the lack of a self-consistent, quantitative model of the yields of these water products versus irradiation projectile species and energy has been an obstacle to estimating the radiolytic oxidant sources to the surfaces and exospheres of these objects. A major challenge is the wide variation of O2 radiolysis yields between laboratory experiments, ranging over 4 orders of magnitude from 5 × 10-7 to 5 × 10-3 molecules/eV for different particles and energies. We revisit decades of laboratory data to solve this long-standing puzzle, finding an inverse projectile range dependence in the O2 yields, due to preferential O2 formation from an 30 Å thick oxygenated surface layer. Highly penetrating projectile ions and electrons with ranges ≳30 Å are therefore less efficient at producing O2 than slow/heavy ions and low-energy electrons (≲ 400 eV) which deposit most energy near the surface. Unlike O2, the H2O2 yields from penetrating projectiles fall within a comparatively narrow range of (0.1-6) × 10-3 molecules/eV and do not depend on range, suggesting that H2O2 forms deep in the ice uniformly along the projectile track, e.g., by reactions of OH radicals. We develop an analytical model for O2, H2, and H2O2 yields from pure water ice for electrons and singly charged ions of any mass and energy and apply the model to estimate possible O2 source rates on several icy satellites. The yields are upper limits for icy bodies on which surface impurities may be present.

  20. [H2en]2{La2M(SO4)6(H2O)2} (M=Co, Ni): First organically templated 3d-4f mixed metal sulfates

    International Nuclear Information System (INIS)

    Yuan Yanping; Wang Ruiyao; Kong Deyuan; Mao Jianggao; Clearfield, Abraham

    2005-01-01

    The first organically templated 3d-4f mixed metal sulfates, [H 2 en] 2 {La 2 M(SO 4 ) 6 (H 2 O) 2 } (M=Co 1, Ni 2) have been synthesized and structurally determined from non-merohedrally twinned crystals. The two compounds are isostructural and their structures feature a three-dimensional anionic network formed by the lanthanum(III) and nickel(II) ions bridged by sulfate anions. The La(III) ions in both compounds are 10-coordinated by four sulfate anions in bidentate chelating fashion, and two sulfate anions in a unidentate fashion. The transition metal(II) ion is octahedrally coordinated by six oxygens from four sulfate anions and two aqua ligands. The doubly protonated enthylenediamine cations are located at the tunnels formed by 8-membered rings (four La and four sulfate anions)

  1. Quantum Dots

    Science.gov (United States)

    Tartakovskii, Alexander

    2012-07-01

    Part I. Nanostructure Design and Structural Properties of Epitaxially Grown Quantum Dots and Nanowires: 1. Growth of III/V semiconductor quantum dots C. Schneider, S. Hofling and A. Forchel; 2. Single semiconductor quantum dots in nanowires: growth, optics, and devices M. E. Reimer, N. Akopian, M. Barkelid, G. Bulgarini, R. Heeres, M. Hocevar, B. J. Witek, E. Bakkers and V. Zwiller; 3. Atomic scale analysis of self-assembled quantum dots by cross-sectional scanning tunneling microscopy and atom probe tomography J. G. Keizer and P. M. Koenraad; Part II. Manipulation of Individual Quantum States in Quantum Dots Using Optical Techniques: 4. Studies of the hole spin in self-assembled quantum dots using optical techniques B. D. Gerardot and R. J. Warburton; 5. Resonance fluorescence from a single quantum dot A. N. Vamivakas, C. Matthiesen, Y. Zhao, C.-Y. Lu and M. Atature; 6. Coherent control of quantum dot excitons using ultra-fast optical techniques A. J. Ramsay and A. M. Fox; 7. Optical probing of holes in quantum dot molecules: structure, symmetry, and spin M. F. Doty and J. I. Climente; Part III. Optical Properties of Quantum Dots in Photonic Cavities and Plasmon-Coupled Dots: 8. Deterministic light-matter coupling using single quantum dots P. Senellart; 9. Quantum dots in photonic crystal cavities A. Faraon, D. Englund, I. Fushman, A. Majumdar and J. Vukovic; 10. Photon statistics in quantum dot micropillar emission M. Asmann and M. Bayer; 11. Nanoplasmonics with colloidal quantum dots V. Temnov and U. Woggon; Part IV. Quantum Dot Nano-Laboratory: Magnetic Ions and Nuclear Spins in a Dot: 12. Dynamics and optical control of an individual Mn spin in a quantum dot L. Besombes, C. Le Gall, H. Boukari and H. Mariette; 13. Optical spectroscopy of InAs/GaAs quantum dots doped with a single Mn atom O. Krebs and A. Lemaitre; 14. Nuclear spin effects in quantum dot optics B. Urbaszek, B. Eble, T. Amand and X. Marie; Part V. Electron Transport in Quantum Dots Fabricated by

  2. Ratiometric photoluminescence sensing based on Ti3C2 MXene quantum dots as an intracellular pH sensor.

    Science.gov (United States)

    Chen, Xu; Sun, Xueke; Xu, Wen; Pan, Gencai; Zhou, Donglei; Zhu, Jinyang; Wang, He; Bai, Xue; Dong, Biao; Song, Hongwei

    2018-01-18

    Intracellular pH sensing is of importance and can be used as an indicator for monitoring the evolution of various diseases and the health of cells. Here, we developed a new class of surface-functionalized MXene quantum dots (QDs), Ti 3 C 2 , by the sonication cutting and hydrothermal approach and further explored their intracellular pH sensing. The functionalized Ti 3 C 2 QDs exhibit bright excitation-dependent blue photoluminescence (PL) originating from the size effect and surface defects. Meanwhile, Ti 3 C 2 QDs demonstrate a high PL response induced by the deprotonation of the surface defects. Furthermore, combining the highly pH sensitive Ti 3 C 2 QDs with the pH insensitive [Ru(dpp) 3 ]Cl 2 , we developed a ratiometric pH sensor to quantitatively monitor the intracellular pH values. These novel MXene quantum dots can serve as a promising platform for developing practical fluorescent nanosensors.

  3. Hexa-μ-acetato-1:2κ4O,O′;1:2κ2O:O;2:3κ4O,O′;2:3κ2O:O-bis(4,4′-dimethyl-2,2′-bipyridine-1κ2N,N′;3κ2N,N′-2-calcium-1,3-dizinc

    Directory of Open Access Journals (Sweden)

    Md. Alamgir Hossain

    2013-12-01

    Full Text Available In the centrosymmetric trinuclear ZnII...CaII...ZnII title complex, [CaZn2(CH3COO6(C12H12N22], the CaII ion lies on an inversion centre and is octahedrally coordinated by six acetate O atoms. The ZnII ion is coordinated by two N atoms from a bidentate dimethylbipyridine ligand and three O atoms from acetate ligands bridging to the CaII ion, leading to a distorted square-pyramidal coordination sphere. The Zn...Ca distance is 3.4668 (5 Å.

  4. State-of-the-art flux pinning in YBa2Cu3O7-δ by the creation of highly linear, segmented nanorods of Ba2(Y /Gd)(Nb/Ta)O6 together with nanoparticles of (Y /Gd)2O3 and (Y /Gd)Ba2Cu4O8

    International Nuclear Information System (INIS)

    Ercolano, G; Bianchetti, M; Wimbush, S C; Harrington, S A; MacManus-Driscoll, J L; Wang, H; Lee, J H

    2011-01-01

    Self-assembled, segmented nanorods of c-axis-aligned Ba 2 (Y /Gd)(Nb/Ta)O 6 as well as randomly distributed nanoparticles of (Y /Gd) 2 O 3 and (Y /Gd)Ba 2 Cu 4 O 8 were grown into YBa 2 Cu 3 O 7-δ (YBCO) thin films by pulsed-laser deposition. The complex pinning landscape proves to be extremely effective, particularly at higher fields where the segmented vortices yield a plateau in critical current density (J c ) with field angle around 60 0 . In 0.3 μm thick films, the J c values are higher than 1 MA cm -2 at 2.5 T (H||c axis). Owing to the combined interactions of the vortices with the different pinning centres, interesting new features are observed at high fields in the angular dependence of J c .

  5. Efficient Visible-Light-Driven Z-Scheme Overall Water Splitting Using a MgTa2O(6-x)N(y)/TaON Heterostructure Photocatalyst for H2 Evolution.

    Science.gov (United States)

    Chen, Shanshan; Qi, Yu; Hisatomi, Takashi; Ding, Qian; Asai, Tomohiro; Li, Zheng; Ma, Su Su Khine; Zhang, Fuxiang; Domen, Kazunari; Li, Can

    2015-07-13

    An (oxy)nitride-based heterostructure for powdered Z-scheme overall water splitting is presented. Compared with the single MgTa2O(6-x)N(y) or TaON photocatalyst, a MgTa2O(6-x)N(y)/TaON heterostructure fabricated by a simple one-pot nitridation route was demonstrated to effectively suppress the recombination of carriers by efficient spatial charge separation and decreased defect density. By employing Pt-loaded MgTa2O(6-x)N(y)/TaON as a H2-evolving photocatalyst, a Z-scheme overall water splitting system with an apparent quantum efficiency (AQE) of 6.8% at 420 nm was constructed (PtO(x)-WO3 and IO3(-)/I(-) pairs were used as an O2-evolving photocatalyst and a redox mediator, respectively), the activity of which is circa 7 or 360 times of that using Pt-TaON or Pt-MgTa2O(6-x)N)y) as a H2-evolving photocatalyst, respectively. To the best of our knowledge, this is the highest AQE among the powdered Z-scheme overall water splitting systems ever reported. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Cell characteristics of FePt nano-dot memories with a high-k Al2O3 blocking oxide

    International Nuclear Information System (INIS)

    Lee, Gae Hun; Lee, Jung Min; Yang, Hyung Jun; Song, Yun Heub; Bea, Ji Cheol; Tanaka, Testsu

    2012-01-01

    The cell characteristics of an alloy FePt nano-dot (ND) charge trapping memory with a high-k dielectric as a blocking oxide was investigated. Adoption of a high-k Al 2 O 3 material as a blocking oxide for the metal nano-dot memory provided a superior scaling of the operation voltage compared to silicon oxide under a similar gate leakage level. For the 40-nm-thick high-k (Al 2 O 3 ) blocking oxide, we confirmed an operation voltage reduction of ∼7 V under the same memory window on for silicon dioxide. Also, this device showed a large memory window of 7.8 V and a low leakage current under 10 -10 A in an area of Φ 0.25 mm. From these results, the use of a dielectric (Al 2 O 3 ) as a blocking oxide for a metal nano-dot device is essential, and a metal nano-dot memory with a high-k dielectric will be one of the candidates for a high-density non-volatile memory device.

  7. Fast synthesize ZnO quantum dots via ultrasonic method.

    Science.gov (United States)

    Yang, Weimin; Zhang, Bing; Ding, Nan; Ding, Wenhao; Wang, Lixi; Yu, Mingxun; Zhang, Qitu

    2016-05-01

    Green emission ZnO quantum dots were synthesized by an ultrasonic sol-gel method. The ZnO quantum dots were synthesized in various ultrasonic temperature and time. Photoluminescence properties of these ZnO quantum dots were measured. Time-resolved photoluminescence decay spectra were also taken to discover the change of defects amount during the reaction. Both ultrasonic temperature and time could affect the type and amount of defects in ZnO quantum dots. Total defects of ZnO quantum dots decreased with the increasing of ultrasonic temperature and time. The dangling bonds defects disappeared faster than the optical defects. Types of optical defects first changed from oxygen interstitial defects to oxygen vacancy and zinc interstitial defects. Then transformed back to oxygen interstitial defects again. The sizes of ZnO quantum dots would be controlled by both ultrasonic temperature and time as well. That is, with the increasing of ultrasonic temperature and time, the sizes of ZnO quantum dots first decreased then increased. Moreover, concentrated raw materials solution brought larger sizes and more optical defects of ZnO quantum dots. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. μ-Adipato-κ2O1:O4-bis{[2,6-bis(1H-benzimidazol-2-yl-κN3pyridine-κN](nitrato-κOlead(II}

    Directory of Open Access Journals (Sweden)

    Lian-Qiang Wei

    2010-01-01

    Full Text Available The dinuclear title compound, [Pb2(C6H8O4(NO32(C19H13N52], lies with the mid-point of the butyl chain of the bridging adipate unit on a center of inversion. The PbII ion is covalently bonded to the nitrate anion and is bonded to a carboxylate group of the adipate unit by another covalent bond. The N-heterocycle functions in a chelating tridentate mode. The metal atom exists in a Ψ-octahedral coordination environment. When weaker Pb...O interactions are also considered, the geometry is a Ψ-tricapped trigonal prism in which the lone-pair electrons occupy one face of the trigonal prism. Adjacent molecules are linked into a layer structure by N—H...O hydrogen bonds.

  9. Photocrystallographic structure determination of a new geometric isomer of [Ru(NH3)4(H2O)(eta1-OSO)][MeC6H4SO3]2.

    Science.gov (United States)

    Bowes, Katharine F; Cole, Jacqueline M; Husheer, Shamus L G; Raithby, Paul R; Savarese, Teresa L; Sparkes, Hazel A; Teat, Simon J; Warren, John E

    2006-06-21

    The structure of a new metastable geometric isomer of [Ru(NH3)4(H2O)(SO2)][MeC6H4SO3]2 in which the SO2 group is coordinated through a single oxygen in an eta1-OSO bonding mode has been determined at 13 K; the new isomer was obtained as a 36% component of the structure within a single crystal upon irradiation using a tungsten lamp.

  10. Synthesis and Characterization of TiO2(B Nanotubes Prepared by Hydrothermal Method Using [Ti8O12(H2O24]Cl8.HCl.7H2O as Precursor

    Directory of Open Access Journals (Sweden)

    Hari Sutrisno

    2010-04-01

    Full Text Available Low-dimension TiO2-related material has been synthesized by hydrothermal treatment of [Ti8O12(H2O24]Cl8.HCl.7H2O crystal as precursor in a 10 M NaOh aqueous solution at 150 C for 24 h. Characterization of the obtained product was carried out by a range of techniques including X-ray diffraction (XRD, high resolution scanning electron microscopy (HRSEM, high resolution transmission electron microscopy (HRTEM, Raman spectroscopy and nitrogen adsorption-desorption isotherm (Brunauer-Emmett-Teller (BET-Barret-Joyner-Halender (BJH. From HRTEM, XRD and Raman spectra showed that the obtained product has a TiO2(B structure. According to HRTEM observations, it was found that TiO2(B has nanotubular structure with approximately 5-8 nm in outer and 3-6 nm in inner diameter. The BET surface area of TiO2(B nanotubes is quiet large, values of 418.3163 m2/g being obtained. Pore structure analyisis by the BJH method showed that the average pore diameter of TiO2(B nanotubes has 5.5781 nm.

  11. Potential of HfN, ZrN, and TiH as hot carrier absorber and Al2O3/Ge quantum well/Al2O3 and Al2O3/PbS quantum dots/Al2O3 as energy selective contacts

    Science.gov (United States)

    Shrestha, Santosh; Chung, Simon; Liao, Yuanxun; Wang, Pei; Cao, Wenkai; Wen, Xiaoming; Gupta, Neeti; Conibeer, Gavin

    2017-08-01

    The hot carrier (HC) solar cell is one of the most promising advanced photovoltaic concepts. It aims to minimise two major losses in single junction solar cells due to sub-band gap loss and thermalisation of above band gap photons by using a small bandgap absorber, and, importantly, collecting the photo-generated carriers before they thermalise. In this paper we will present recent development of the two critical components of the HC solar cell, i.e., the absorber and energy selective contacts (ESCs). For absorber, fabrication and carrier cooling rates in potential bulk materials — hafnium nitride, zirconium nitride, and titanium hydride are presented. Results of ESCs employing double barrier resonant tunneling structures Al2O3/Ge quantum well (QW)/Al2O3 and Al2O3/PbS quantum dots (QDs)/Al2O3 are also presented. These results are expected to guide further development of practical HC solar cell devices.

  12. A visible-light-driven composite photocatalyst of TiO2 nanotube arrays and graphene quantum dots

    Directory of Open Access Journals (Sweden)

    Donald K. L. Chan

    2014-05-01

    Full Text Available TiO2 nanotube arrays are well-known efficient UV-driven photocatalysts. The incorporation of graphene quantum dots could extend the photo-response of the nanotubes to the visible-light range. Graphene quantum dot-sensitized TiO2 nanotube arrays were synthesized by covalently coupling these two materials. The product was characterized by Fourier-transform infrared spectrometry (FTIR, scanning electron microscopy (SEM, transmission electron microscopy (TEM, X-ray diffraction (XRD, thermogravimetric analysis (TGA and UV–vis absorption spectroscopy. The product exhibited high photocatalytic performance in the photodegradation of methylene blue and enhanced photocurrent under visible light irradiation.

  13. K3[Fe(CN)6].3H2O supported on silica gel: An efficient and selective ...

    Indian Academy of Sciences (India)

    Department of Chemistry, Payame Noor University, 19395-4697 Tehran, I. R. of IRAN e-mail: ... K3[Fe(CN)6].3H2O, Silica gel; oxime; aldehyde; ketone. 1. Introduction .... ysis, hydrogenation, etc., using organic and inorganic reagents. Besides ...

  14. IR and Raman spectra of LaH(SeO3)2 and FeH(SeO3)2

    International Nuclear Information System (INIS)

    Ratheesh, R.; Suresh, G.; Nayar, V.U.; Morris, R.E.

    1995-01-01

    The infrared and Raman spectra of LaH(SeO 3 ) 2 and FeH(SeO 3 ) 2 crystals are recorded and analysed. Bands confirm the coexistence of HSeO 3 - and SeO 3 2- ions in both LaH(SeO 3 ) 2 and FeH(SeO 3 ) 2 crystals. The Se-OH stretching vibrations are observed to be at lower wavenumbers in LaH(SeO 3 ) 2 than that in the iron compound in agreement with the short O-O distance in the former. Observed bands indicate that the SeO 3 2- ions are more angularly distorted in FeH(SeO 3 ) 2 crystal. ABC bands, characteristic of strong hydrogen bonded systems are observed in the infrared spectra of both the crystals. (author). 15 refs., 2 figs., 1 tab

  15. Thermally activated 3D to 2D structural transformation of [Ni{sub 2}(en){sub 2}(H{sub 2}O){sub 6}(pyr)]·4H{sub 2}O flexible coordination polymer

    Energy Technology Data Exchange (ETDEWEB)

    Begović, Nebojša N. [Faculty of Physical Chemistry, University of Belgrade (Serbia); Institute of General and Physical Chemistry, Belgrade (Serbia); Blagojević, Vladimir A. [Faculty of Physical Chemistry, University of Belgrade (Serbia); Ostojić, Sanja B.; Radulović, Aleksandra M. [Institute of General and Physical Chemistry, Belgrade (Serbia); Poleti, Dejan [Faculty of Technology and Metallurgy, University of Belgrade (Serbia); Minić, Dragica M., E-mail: dminic@ffh.bg.ac.rs [Faculty of Physical Chemistry, University of Belgrade (Serbia); Department of Biomedical Sciences, State University of Novi Pazar (Serbia)

    2015-01-15

    Thermally activated 3D to 2D structural transformation of the binuclear [Ni{sub 2}(en){sub 2}(H{sub 2}O){sub 6}(pyr)]·4H{sub 2}O complex was investigated using a combination of theoretical and experimental methods. Step-wise thermal degradation (dehydration followed by release of ethylene diamine) results in two layered flexible coordination polymer structures. Dehydration process around 365 K results in a conjugated 2D structure with weak interlayer connectivity. It was shown to be a reversible 3D to 2D framework transformation by a guest molecule, and rehydration of the dehydration product occurs at room temperature in saturated water vapor. Rehydrated complex exhibits lower dehydration temperature, due to decreased average crystalline size, with higher surface area resulting in easier release and diffusion of water during dehydration. Thermal degradation of dehydration around 570 K, results in loss of ethylene diamine, producing a related 2D layered polymer structure, without interconnectivity between individual polymer layers. - Highlights: • Reversible 3D to 2D framework topochemical transformation on dehydration around 365 K. • Resulting polymer exhibits 2D layered structure with weak interlayer connectivity. • Dehydration is fully reversible in saturated water vapor at room temperature. • Further degradation around 570 K yields 2D polymer without interlayer connectivity. • 2D polymer exhibits conjugated electronic system.

  16. SnO2 Quantum Dots@Graphene Oxide as a High-Rate and Long-Life Anode Material for Lithium-Ion Batteries.

    Science.gov (United States)

    Zhao, Kangning; Zhang, Lei; Xia, Rui; Dong, Yifan; Xu, Wangwang; Niu, Chaojiang; He, Liang; Yan, Mengyu; Qu, Longbin; Mai, Liqiang

    2016-02-03

    Tin-based electrode s offer high theoretical capacities in lithium ion batteries, but further commercialization is strongly hindered by the poor cycling stability. An in situ reduction method is developed to synthesize SnO2 quantum dots@graphene oxide. This approach is achieved by the oxidation of Sn(2+) and the reduction of the graphene oxide. At 2 A g(-1), a capacity retention of 86% is obtained even after 2000 cycles. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. High purity H2/H2O/Ni/SZ electrodes at 500º C

    DEFF Research Database (Denmark)

    Høgh, Jens Valdemar Thorvald; Hansen, Karin Vels; Norrman, Kion

    2013-01-01

    of stabilized zirconia (SZ) with 10, 13 and 18 mol% yttria and one with 6 mol% scandia plus 4 mol% yttria were studied at open circuit voltage at 400-500 C in mixtures of H2/H2O over 46 days. The polarization resistances (Rp) for all samples increased significantly during the first 10-20 days at 500 C...

  18. SnO2 quantum dots with rapid butane detection at lower ppm-level

    Science.gov (United States)

    Cai, Pan; Dong, Chengjun; Jiang, Ming; Shen, Yuanyuan; Tao, You; Wang, Yude

    2018-04-01

    SnO2 quantum dots (QDs) were successfully synthesized by a facile approach employing benzyl alcohol and ammonium hydroxide at lower temperature of 130 °C. It is revealed that the SnO2 QDs is about 3 nm in size to form clusters. The gas sensor based on SnO2 QDs shows a high potential for detecting low-ppm-level butane at 400 °C, exhibiting a high sensitivity, short response and rapid recovery time, and effective selectivity. The sensing mechanism is understood in terms of adsorbed oxygen species. Significantly, the excellent sensing performance is attributed to the smaller size of SnO2 and larger surface area (204.85 m2/g).

  19. Efficiency enhancement of solid-state PbS quantum dot-sensitized solar cells with Al2O3 barrier layer

    KAUST Repository

    Brennan, Thomas P.; Trejo, Orlando; Roelofs, Katherine E.; Xu, John; Prinz, Fritz B.; Bent, Stacey F.

    2013-01-01

    Atomic layer deposition (ALD) was used to grow both PbS quantum dots and Al2O3 barrier layers in a solid-state quantum dot-sensitized solar cell (QDSSC). Barrier layers grown prior to quantum dots resulted in a near-doubling of device efficiency (0.30% to 0.57%) whereas barrier layers grown after quantum dots did not improve efficiency, indicating the importance of quantum dots in recombination processes. © 2013 The Royal Society of Chemistry.

  20. The solubility of gold in H 2 O-H 2 S vapour at elevated temperature and pressure

    Science.gov (United States)

    Zezin, Denis Yu.; Migdisov, Artashes A.; Williams-Jones, Anthony E.

    2011-09-01

    This experimental study sheds light on the complexation of gold in reduced sulphur-bearing vapour, specifically, in H 2O-H 2S gas mixtures. The solubility of gold was determined in experiments at temperatures of 300, 350 and 365 °C and reached 2.2, 6.6 and 6.3 μg/kg, respectively. The density of the vapour varied from 0.02 to 0.22 g/cm 3, the mole fraction of H 2S varied from 0.03 to 0.96, and the pressure in the cell reached 263 bar. Statistically significant correlations of the amount of gold dissolved in the fluid with the fugacity of H 2O and H 2S permit the experimental data to be fitted to a solvation/hydration model. According to this model, the solubility of gold in H 2O-H 2S gas mixtures is controlled by the formation of sulphide or bisulphide species solvated by H 2S or H 2O molecules. Formation of gold sulphide species is favoured statistically over gold bisulphide species and thus the gold is interpreted to dissolve according to reactions of the form: Au(s)+(n+1)HS(g)=AuS·(HS)n(g)+H(g) Au(s)+HS(g)+mHO(g)=AuS·(HO)m(g)+H(g) Equilibrium constants for Reaction (A1) and the corresponding solvation numbers ( K A1 and n) were evaluated from the study of Zezin et al. (2007). The equilibrium constants as well as the hydration numbers for Reaction (A2) ( K A2 and m) were adjusted simultaneously by a custom-designed optimization algorithm and were tested statistically. The resulting values of log K A2 and m are -15.3 and 2.3 at 300 and 350 °C and -15.1 and 2.2 at 365 °C, respectively. Using the calculated stoichiometry and stability of Reactions (A1) and (A2), it is now possible to quantitatively evaluate the contribution of reduced sulphur species to the transport of gold in aqueous vapour at temperatures up to 365 °C. This information will find application in modelling gold ore-forming processes in vapour-bearing magmatic hydrothermal systems, notably those of epithermal environments.

  1. (R,S-2′-Amino-6′-methyl-2,5′,5′-trioxo-6H-spiro[indoline-3,4′-pyrano[3,2-c][2,1]benzothiazine]-3′-carbonitrile dimethylformamide monosolvate

    Directory of Open Access Journals (Sweden)

    Svitlana V. Shishkina

    2014-07-01

    Full Text Available The title solvate, C20H14N4O4S·C3H7NO, comprises a stereogenic centre but the centrosymmetric space group causes the presence of the racemate in the crystal. The spiro-joined fragments are almost orthogonal, with a dihedral angle of 86.8 (2° between the mean planes of the pyrane ring and the dihydroindolone ring system. The atoms of the indolinone bicycle are coplanar, with an r.m.s. deviation of 0.005 Å. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into centrosymmetric dimers which are linked to the dimethylformamide solvent molecules by further N—H...O hydrogen bonds. N—H...N hydrogen bonds link neighbouring dimers into [010] chains.

  2. Tricyclic sesquiterpene copaene prevents H2O2-induced neurotoxicity

    Directory of Open Access Journals (Sweden)

    Hasan Turkez

    2014-02-01

    Full Text Available Aim: Copaene (COP, a tricyclic sesquiterpene, is present in several essential oils of medicinal and aromatic plants and has antioxidant and anticarcinogenic features. But, very little information is known about the effects of COP on oxidative stress induced neurotoxicity. Method: We used hydrogen peroxide (H2O2 exposure for 6 h to model oxidative stress. Therefore, this experimental design allowed us to explore the neuroprotective potential of COP in H2O2-induced toxicity in rat cerebral cortex cell cultures for the first time. For this purpose, methyl thiazolyl tetrazolium (MTT and lactate dehydrogenase (LDH release assays were carried out to evaluate cytotoxicity. Total antioxidant capacity (TAC and total oxidative stress (TOS parameters were used to evaluate oxidative changes. In addition to determining of 8-hydroxy-2-deoxyguanosine (8-OH-dG levels, the single cell gel electrophoresis (SCGE or comet assay was also performed for measuring the resistance of neuronal DNA to H2O2-induced challenge. Result: The results of this study showed that survival and TAC levels of the cells decreased, while TOS, 8-OH-dG levels and the mean values of the total scores of cells showing DNA damage increased in the H2O2 alone treated cultures. But pre-treatment of COP suppressed the cytotoxicity, genotoxicity and oxidative stress which were increased by H2O2. Conclusion: It is proposed that COP as a natural product with an antioxidant capacity in mitigating oxidative injuries in the field of neurodegenerative diseases. [J Intercult Ethnopharmacol 2014; 3(1.000: 21-28

  3. Synthesis and vibrational spectra of cooper(II) and erbium(III) complexes with 2-diazo[2'-(oxymethyldiphenylphosphinyl)phenyl]-4-tert-butylphenol (HL) - [CuL22H2O and Er(NO3)3·2HL·2H2O. Crystal structure of [CuL22H2O

    International Nuclear Information System (INIS)

    Tsivadze, A.Yu.; Minacheva, L.Kh.; Ivanova, I.S.; Pyatova, E.N.; Sergienko, V.S.; Baulin, V.E.

    2008-01-01

    Paper describes synthesis of CuL 2 ·2H 2 O (I) complex cupric salt and of Er(NO 3 ) 3 ·2HL·2H 2 O (II) erbium nitrate complex (HL=2-diazo-[2'(oxymethyl-diphenyl-phosphinyl)phenyl]-4-tert-butylphenol). One interprets the fundamental frequencies within the IR-spectra of (I) and (II) compounds. One has performed X-ray diffraction analysis of I compound. The crystals are monoclinic ones, a=15.157(3), b=17.080(2), c=22.451(9) A, β=106.09(3) Deg, V=5584(3) A 3 , Z=4, C2/c sp.gr., R=0.0546 as to 1152 reflections with I>2σ(I). The copper atom coordination polyhedron (C 2 symmetry) may be described as a symmetrically-prolonged square bipyramid (4+2). Cu polyhedron central square is formed by substituted phenol oxygen atom and by one of diazo-group nitrogen atoms of either of two deprotonated ligands, namely: L - (Cu-N 1.969(6), Cu-O 1.899(5) A). The angles between lying opposite O and N atoms constitute 157.6 Deg, while the rest equatorial angles range within 90.6 Deg-95.9 Deg. The axial positions are occupied by O(2) and O(2A) anisole atoms (Cu-O 2.737(6) A, O(2)Cu(1)O(2A) angle constitutes 132.3 Deg). Within crystal I the complex molecules and the crystallization molecules of water are combined by by the hydrogen bond system. According to the IR-spectra data, within complex II in contrast to compound I erbium atom coordination by HL ligand involves oxygen phosphoryl atom [ru

  4. Structure of LaH(PO3H)2.3H2O

    International Nuclear Information System (INIS)

    Loukili, M.; Durand, J.; Larbot, A.; Cot, L.; Rafiq, M.

    1991-01-01

    Lanthanum hydrogen bis(hydrogenphosphite) trihydrate, LaH(Po 3 H) 2 .3H 2 O, M r =353.8, monoclinic, P2 1 /c, a=9.687 (3), b=7.138 (2), c=13.518 A, β=104.48 (3) deg, V=905.0 (5) A 3 , Z=4, D m =2.56 (2), D x =2.598 Mg m -3 , λ(MoKα)=0.71073 A, μ(MoKα)=5.103 mm -1 , F(000)=672, T=300 K, R=0.032 for 1018 independent observed reflections. The structure contains two phosphite anions connected by a hydrogen bond. The La 3+ cation is eight coordinated by seven O atoms from phosphite anions and one O atom of a water molecule. (orig.)

  5. Siudaite, Na8(Mn2+ 2Na)Ca6Fe3+ 3Zr3NbSi25O74(OH)2Cl·5H2O: a new eudialyte-group mineral from the Khibiny alkaline massif, Kola Peninsula

    Science.gov (United States)

    Chukanov, Nikita V.; Rastsvetaeva, Ramiza K.; Kruszewski, Łukasz; Aksenov, Sergey M.; Rusakov, Vyacheslav S.; Britvin, Sergey N.; Vozchikova, Svetlana A.

    2018-03-01

    The new eudialyte-group mineral siudaite, ideally Na8(Mn2+ 2Na)Ca6Fe3+ 3Zr3NbSi25O74(OH)2Cl·5H2O, was discovered in a peralkaline pegmatite situated at the Eveslogchorr Mt., Khibiny alkaline massif, Kola Peninsula, Russia. The associated minerals are aegirine, albite, microcline, nepheline, astrophyllite, and loparite-(Ce). Siudaite forms yellow to brownish-yellow equant anhedral grains up to 1.5 cm across. Its lustre is vitreous, and the streak is white. Cleavage is none observed. The Mohs' hardness is 4½. Density measured by hydrostatic weighing is 2.96(1) g/cm3. Density calculated using the empirical formula is equal to 2.973 g/cm3. Siudaite is nonpleochroic, optically uniaxial, negative, with ω = 1.635(1) and ɛ = 1.626(1) (λ = 589 nm). The IR spectrum is given. The chemical composition of siudaite is (wt%; electron microprobe, H2O determined by HCN analysis): Na2O 8.40, K2O 0.62, CaO 9.81, La2O3 1.03, Ce2O3 1.62, Pr2O3 0.21, Nd2O3 0.29, MnO 6.45, Fe2O3 4.51. TiO2 0.54, ZrO2 11.67, HfO2 0.29, Nb2O5 2.76, SiO2 47.20, Cl 0.54, H2O 3.5, -O = Cl - 0.12, total 99.32. According to Mössbauer spectroscopy data, all iron is trivalent. The empirical formula (based on 24.5 Si atoms pfu, in accordance with structural data) is [Na7.57(H2O)1.43]Σ9(Mn1.11Na0.88Ce0.31La0.20Nd0.05Pr0.04K0.41)Σ3(H2O)1.8(Ca5.46Mn0.54)Σ6(Fe3+ 1.76Mn2+ 1.19)Σ2.95Nb0.65(Ti0.20Si0.50)Σ0.71(Zr2.95Hf0.04Ti0.01)Σ3Si24.00Cl0.47O70(OH)2Cl0.47·1.82H2O. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is trigonal, space group R3m, with a = 14.1885(26) Å, c = 29.831(7) Å, V = 5200.8(23) Å3 and Z = 3. Siudaite is chemically related to georgbarsanovite and is its analogue with Fe3+-dominant M2 site. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 6.38 (60) (-114), 4.29 (55) (-225), 3.389 (47) (131), 3.191 (63) (-228). 2.963 (100) (4-15), 2.843 (99) (-444), 2.577 (49) (3-39). Siudaite is named after the Polish

  6. Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C2H2H2O and C2H4—H2O complexes

    DEFF Research Database (Denmark)

    Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

    2017-01-01

    an intermolecular CH⋯O hydrogen-bonded configuration of C2v symmetry with the H2O subunit acting as the hydrogen bond acceptor. The observation and assignment of two large-amplitude donor OH librational modes of the C2H4—H2O complex at 255.0 and 187.5 cm−1, respectively, confirms an intermolecular OH⋯π hydrogen...

  7. Bis[2-(2H-benzotriazol-2-yl-4-methylphenolato]palladium(II

    Directory of Open Access Journals (Sweden)

    Chen-Yen Tsai

    2009-06-01

    Full Text Available In the title complex, [Pd(C13H10N3O2], the PdII atom is tetracoordinated by two N atoms and two O atoms from two bidentate 2-(2H-benzotriazol-2-yl-4-methylphenolate ligands, forming a square-planar environment. The asymmetric unit contains one half molecule in which the Pd atom lies on a centre of symmetry.

  8. The crystal structures of 3-O-benzyl-1,2-O-isopropylidene-5-O-methanesulfonyl-6-O-triphenylmethyl-α-d-glucofuranose and its azide displacement product

    Directory of Open Access Journals (Sweden)

    Zane Clarke

    2018-06-01

    Full Text Available The effect of different leaving groups on the substitution versus elimination outcomes with C-5 d-glucose derivatives was investigated. The stereochemical configurations of 3-O-benzyl-1,2-O-isopropylidene-5-O-methanesulfonyl-6-O-triphenylmethyl-α-d-glucofuranose, C36H38O8S (3 [systematic name: 1-[(3aR,5R,6S,6aR-6-benzyloxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl-2-(trityloxyethyl methanesulfonate], a stable intermediate, and 5-azido-3-O-benzyl-5-deoxy-1,2-O-isopropylidene-6-O-triphenylmethyl-β-l-idofuranose, C35H35N3O5 (4 [systematic name: (3aR,5S,6S,6aR-5-[1-azido-2-(trityloxyethyl]-6-benzyloxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole], a substitution product, were examined and the inversion of configuration for the azido group on C-5 in 4 was confirmed. The absolute structures of the molecules in the crystals of both compounds were confirmed by resonant scattering. In the crystal of 3, neighbouring molecules are linked by C—H...O hydrogen bonds, forming chains along the b-axis direction. The chains are linked by C—H...π interactions, forming layers parallel to the ab plane. In the crystal of 4, molecules are also linked by C—H...O hydrogen bonds, forming this time helices along the a-axis direction. The helices are linked by a number of C—H...π interactions, forming a supramolecular framework.

  9. The nido-osmaboranes [2,2,2-(CO)(PPh(3))(2)-nido-2-OsB(5)H(9)] and [6,6,6-(CO)(PPh(3))(2)-nido-6-OsB(9)H(13)].

    Science.gov (United States)

    Bould, J; Kennedy, J D; Thomas, R L; Rath, N P; Barton, L

    2001-11-01

    The structural characterization of the osmahexaborane 2-carbonyl-2,2-bis(triphenylphosphine)-nido-2-osmahexaborane(9), [Os(B(5)H(9))(C(18)H(15)P)(2)(CO)], (I), a metallaborane analogue of B(6)H(10), confirms the structure proposed from NMR spectroscopy. The structure of the osmadecaborane 6-carbonyl-6,6-bis(triphenylphosphine)-nido-6-osmadecaborane(13), [Os(B(9)H(13))(C(18)H(15)P)(2)(CO)], (IV), is similarly confirmed. The short basal B-B distance of 1.652 (8) A in (I), not bridged by an H atom, mirrors that in the parent hexaborane(10) [1.626 (4) A].

  10. Using H2O2 as oxidant in leaching of uranium ores. The new research on the reaction of H2O2 with Fe2+

    International Nuclear Information System (INIS)

    Gao Xizhen

    1997-05-01

    The new research on the reaction of H 2 O 2 with Fe 2+ has been studied. Through determining the electric potential, pH and O 2 release during the mutual titration between H 2 O 2 solution and FeSO 4 solution, deduced the chemical equations of H 2 O 2 (without free hydroxyl) oxidizing FeSO 4 and Fe 2 (SO 4 ) 3 oxidizing H 2 O 2 . The research results show that acid is a catalytic agent for decomposing H 2 O 2 to be O 2 and H 2 O besides iron ions. The maximum oxidizing potential is up to about 640 mV. While using H 2 O 2 as an oxidant in uranium heap leaching and in-situ leaching, controlling electric potential can be regarded as a method for adjusting the feeding speed of H 2 O 2 to keep the electric potential below 500 mV, thus the H 2 O 2 decomposition can be reduced. (13 refs., 3 tabs., 1 fig.)

  11. μ-Oxalato-κ4O1,O2:O1′,O2′-bis[aqua(2,2′-bipyridine-κN(nitrato-κ2O,O′lead(II

    Directory of Open Access Journals (Sweden)

    Gang-Hong Pan

    2012-10-01

    Full Text Available The title compound, [Pb2(C2O4(NO32(C10H8N22(H2O2], was synthesized hydrothermally. The binuclear complex molecule is centrosymmetric, the inversion centre being located at the mid-point of the oxalate C—C bond. The PbII ion is heptacoordinated by the O atom of one water molecule, two oxalate O atoms, two nitrate O atoms and two 2,2′-bipyridine N atoms, forming an irregular coordination environemnt. Intermolecular O—H...O hydrogen bonds between water molecules and oxalate and nitrate ions result in the formation of layers parallel to (010. π–π interactions between pyridine rings in adjacent layers, with centroid–centroid distances of 3.584 (2 Å, stabilize the structural set-up.

  12. Channels with ordered water and bipyridine molecules in the porous coordination polymer {[Cu(SiF6(C10H8N22]·2C10N2H8·5H2O}n

    Directory of Open Access Journals (Sweden)

    Emmanuel Aubert

    2016-11-01

    Full Text Available The coordination polymer {[Cu(SiF6(C10H8N22]·2C10H8N2·5H2O}n, systematic name: poly[[bis(μ2-4,4′-bipyridine(μ2-hexafluoridosilicatocopper(II] 4,4′-bipyridine disolvate pentahydrate], contains pores which are filled with water and 4,4′-bipyridine molecules. As a result of the presence of these ordered species, the framework changes its symmetry from P4/mmm to P21/c. The 4,4′-bipyridine guest molecules form chains inside the 6.5 × 6.9 Å pores parallel to [100] in which the molecules interact through π–π stacking. Ordered water molecules form infinite hydrogen-bonded chains inside a second pore system (1.6 × 5.3 Å free aperture perpendicular to the 4,4′-bipyridine channels.

  13. Study of the unimolecular decompositions of the (C3H6)+2 and (c-C3H6)+2 complexes

    International Nuclear Information System (INIS)

    Tzeng, W.; Ono, Y.; Linn, S.H.; Ng, C.Y.

    1985-01-01

    The major product channels identified in the unimolecular decompositions ofC 3 H + 6 xC 3 H 6 and c-C 3 H + 6 xc-C 3 H 6 in the total energy [neutral (C 3 H 6 ) 2 or (c-C 3 H 6 ) 2 heat of formation plus excitation energy] range of approx.230--450 kcal/mol are C 3 H + 7 +C 3 H 5 , C 4 H + 7 +C 2 H 5 , C 4 H + 8 +C 2 H 4 , and C 5 H + 9 +CH 3 . The measured appearance energy for C 4 H + 7 (9.54 +- 0.04 eV) from (C 3 H 6 ) 2 is equal to the thermochemical threshold for the formation of C 4 H + 7 +C 2 H 5 from (C 3 H 6 ) 2 , indicating that the exit potential energy barrier for the ion--molecule reaction C 3 H + 6 +C 3 H 6 →C 4 H + 7 +C 2 H 5 is negligible. There is evidence that the formations of C 4 H + 7 +C 2 H 4 +H from (C 3 H 6 ) + 2 and (c-C 3 H 6 ) + 2 also proceed with high probabilities when they are energetically allowed. The variations of the relative abundances for C 4 H + 7 ,C 4 H + 8 , and C 5 H + 9 from (C 3 H 6 ) + 2 and (c-C 3 H 6 ) + 2 as a function of ionizing photon energy are in qualitative agreement, suggesting that (C 3 H 6 ) + 2 and (c-C 3 H 6 ) + 2 rearrange to similar C 6 H + 12 isomers prior to fragmentation. The fact that C 6 H + 11 is found to be a primary ion from the unimolecular decomposition of (c-C 3 H 6 ) + 2 but not (C 3 H 6 ) + 2 supports the conclusion that the distribution of C 6 H + 12 collision complexes involved in the C 3 H + 6 +C 3 H 6 reactions is different from that in the cyclopropane ion--molecule reactions

  14. Comparative investigation of the solution species [U(CO3)5]6- and the crystal structure of Na6[U(CO3)5].12H2O.

    Science.gov (United States)

    Hennig, Christoph; Ikeda-Ohno, Atsushi; Emmerling, Fanziska; Kraus, Werner; Bernhard, Gert

    2010-04-21

    The limiting U(IV) carbonate species in aqueous solution was investigated by comparing its structure parameters with those of the complex preserved in a crystal structure. The solution species prevails in aqueous solution of 0.05 M U(IV) and 1 M NaHCO(3) at pH 8.3. Single crystals of Na(6)[U(CO(3))(5)].12H(2)O were obtained directly from this mother solution. The U(IV) carbonate complex in the crystal structure was identified as a monomeric [U(CO(3))(5)](6-) anionic complex. The interatomic distances around the U(IV) coordination polyhedron show average distances of U-O = 2.461(8) A, U-C = 2.912(4) A and U-O(dist) = 4.164(6) A. U L(3)-edge EXAFS spectra were collected from the solid Na(6)[U(CO(3))(5)].12H(2)O and the corresponding solution. The first shell of the Fourier transforms (FTs) revealed, in both samples, a coordination of ten oxygen atoms at an average U-O distance of 2.45 +/- 0.02 A, the second shell originates from five carbon atoms with a U-C distance of 2.91 +/- 0.02 A, and the third shell was fit with single and multiple scattering paths of the distal oxygen at 4.17 +/- 0.02 A. These data indicate the identity of the [U(CO(3))(5)](6-) complex in solid and solution state. The high negative charge of the [U(CO(3))(5)](6-) anion is compensated by Na(+) cations. In solid state the Na(+) cations form a bridging network between the [U(CO(3))(5)](6-) units, while in liquid state the Na(+) cations seem to be located close to the anionic complex. The average metal-oxygen distances of the coordination polyhedron show a linear correlation to the radius contraction of the neighbouring actinide(IV) ions and indicate the equivalence of the [An(CO(3))(5)](6-) coordination within the series of thorium, uranium, neptunium and plutonium.

  15. Ni2Sr(PO42·2H2O

    Directory of Open Access Journals (Sweden)

    Lahcen El Ammari

    2010-12-01

    Full Text Available The title compound, dinickel(II strontium bis[orthophosphate(V] dihydrate, was obtained under hydrothermal conditions. The crystal structure consists of linear chains ∞1[NiO2/2(OH22/2O2/1] of edge-sharing NiO6 octahedra (overline{1} symmetry running parallel to [010]. Adjacent chains are linked to each other through PO4 tetrahedra (m symmetry and arranged in such a way to build layers parallel to (001. The three-dimensional framework is accomplished by stacking of adjacent layers that are held together by SrO8 polyhedra (2/m symmetry. Two types of O—H...O hydrogen bonds involving the water molecule are present, viz. one very strong hydrogen bond perpendicular to the layers and weak trifurcated hydrogen bonds parallel to the layers.

  16. Degradation of Pentachlorophenol in Aqueous Solution by the UV/ZrO 2 /H 2 O 2 Photocatalytic Process

    Directory of Open Access Journals (Sweden)

    Mohammad Reza Samarghandi

    2015-12-01

    Full Text Available Pentachlorophenol (PCP, which is one of the resistant phenolic compounds, has been classified in the category of EPA’s priority pollutants due to its high toxicity and carcinogenic potential. Therefore, its removal from water and wastewater is very important. Various methods have been studied for removing the compound, among which advanced oxidation processes (AOPs have attracted much attention because of ease of application and high efficiency. Thus the aim of this study was to investigate the efficiency of the UV/ZrO2/H2O2 process, as an AOP, for PCP removal from aquatic environments. The effects of several parameters such as ultraviolet (UV exposure time, initial PCP concentration, pH, concentration of zirconium dioxide (ZrO2 nanoparticles, and H2O2 concentration were studied. Kinetics of the reaction was also detected. The concentration of the stated materials in the samples was determined using a spectrophotometer at 500 nm. The results showed that the highest efficiency (approximately 100% was reached at optimized conditions of pH 6, contact time of 30 minutes, initial PCP concentration of 20 mg/L, the nanoparticles concentration of 0.1 g/L and H2O2 concentration of 14.7 mM/L. Also, the process followed the first order kinetics reaction. The obtained results illustrated that the UV/ZrO2/H2O2 process has a high ability in removing PCP.

  17. A sol-gel method for preparing ZnO quantum dots with strong blue emission

    International Nuclear Information System (INIS)

    Chen Zhong; Li Xiaoxia; Du Guoping; Chen Nan; Suen, Andy Y.M.

    2011-01-01

    ZnO quantum dots (QDs) with strong blue emission have been successfully synthesized by sol-gel method, and their crystal structures, sizes, and photoluminescence properties were characterized by X-ray diffractometer, scanning electron microscope, and ultraviolet-visible spectroscopy. It has been found that ZnO QDs had a hexagonal wurtzite crystal structure, and their average diameter was about 16.0-32.2 nm. Both the reaction time and temperature were found to have a strong influence on the average size and photoluminescence properties of ZnO QDs. Longer reaction time and higher reaction temperature resulted in larger average size for ZnO QDs. It has been shown that at reaction temperature 60 deg. C the emission intensity for ZnO QDs increased first with reaction time before 7 h and then decreased after 7 h. For the same reaction time 7 h, ZnO QDs synthesized at 60 deg. C showed the strongest emission intensity. It was found that annealing in nitrogen, vacuum, and air all resulted in an increase of the size of ZnO QDs and a reduction in their photoluminescence. The dependence of the size and properties of ZnO QDs on the reaction parameters as well as the annealing conditions has been discussed. - Highlights: → ZnO quantum dots (QDs) with strong blue emission were prepared by sol-gel method. → ZnO QDs had a pure spectral blue with the chromaticity coordinates (0.166, 0.215). → Optimal reaction time and temperature were 7 h and 60 deg. C, respectively.

  18. Hydrothermal syntheses, structural, Raman, and luminescence studies of Cm[M(CN)2]3.3H2O and Pr[M(CN)2]3.3H2O (M=Ag, Au)

    International Nuclear Information System (INIS)

    Assefa, Zerihun; Haire, Richard G.; Sykora, Richard E.

    2008-01-01

    We have prepared Cm[Au(CN) 2 ] 3 .3H 2 O and Cm[Ag(CN) 2 ] 3 .3H 2 O as a part of our continuing investigations into the chemistry of the 5f-elements' dicyanometallates. Single crystals of Cm[Au(CN) 2 ] 3 .3H 2 O were obtained from the reaction of CmCl 3 and KAu(CN) 2 under mild hydrothermal conditions. Due to similarities in size, the related praseodymium compounds were also synthesized and characterized for comparison with the actinide systems. The compounds crystallize in the hexagonal space group P6 3 /mcm, where the curium and the transition metals interconnect through cyanide bridging. Crystallographic data (Mo Kα, λ=0.71073 A): Cm[Au(CN) 2 ] 3 .3H 2 O (1), a=6.6614(5) A, c=18.3135(13) A, V=703.77(9), Z=2; Pr[Au(CN) 2 ] 3 .3H 2 O (3), a=6.6662(8) A, c=18.497(3) A, V=711.83(17), Z=2; Pr[Ag(CN) 2 ] 3 .3H 2 O (4), a=6.7186(8) A, c=18.678(2) A, V=730.18(14), Z=2. The Cm 3+ and/or Pr 3+ ions are coordinated to six N-bound CN - groups resulting in a trigonal prismatic arrangement. Three oxygen atoms of coordinated water molecules tricap the trigonal prismatic arrangement providing a coordination number of nine for the f-elements. The curium ions in both compounds exhibit a strong red emission corresponding to the 6 D 7/2 → 8 S 7/2 transition. This transition is observed at 16,780 cm -1 , with shoulders at 17,080 and 16,840 cm -1 for the Ag complex, while the emission is red shifted by ∼100 cm -1 in the corresponding gold complex. The Pr systems also provide well-resolved emissions upon f-f excitation. - Graphical abstract: Coordination polymeric compounds between a trans-plutonium element, curium and transition metal ions, gold(I) and silver(I), were prepared using the hydrothermal synthetic procedure. The curium ion and the transition metals are interconnected through cyanide bridging. The Cm ion has a tricapped trigonal prismatic coordination environment with coordination number of nine. Detail photoluminescence studies of the complexes are also reported

  19. Photoemission Studies of Si Quantum Dots with Ge Core: Dots formation, Intermixing at Si-clad/Ge-core interface and Quantum Confinement Effect

    Directory of Open Access Journals (Sweden)

    Yudi Darma

    2008-03-01

    Full Text Available Spherical Si nanocrystallites with Ge core (~20nm in average dot diameter have been prepared by controlling selective growth conditions of low-pressure chemical vapor deposition (LPCVD on ultrathin SiO2 using alternately pure SiH4 and 5% GeH4 diluted with He. XPS results confirm the highly selective growth of Ge on the pregrown Si dots and subsequently complete coverage by Si selective growth on Ge/Si dots. Compositional mixing and the crystallinity of Si dots with Ge core as a function of annealing temperature in the range of 550-800oC has been evaluated by XPS analysis and confirms the diffusion of Ge atoms from Ge core towards the Si clad accompanied by formation of GeOx at the Si clad surface. The first subband energy at the valence band of Si dot with Ge core has been measured as an energy shift at the top of the valence band density of state using XPS. The systematic shift of the valence band maximum towards higher binding energy with progressive deposition in the dot formation indicate the charging effect of dots and SiO2 layer by photoemission during measurements.

  20. Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido-2H-indazol-2-yl]propanoate

    Directory of Open Access Journals (Sweden)

    Najat Abbassi

    2012-04-01

    Full Text Available In the title compound, C21H25N3O6S, the dihedral angle between the methoxybenzene and indazole rings is 74.96 (5°. The crystal packing is stabilized by an N—H...O hydrogen bond into a two-dimensional network. In addition, C—H...π interactions and a π–π contact, with a centroid–centroid distance of 3.5333 (6 Å, are observed. The crystal packing is stabilized by N—H...O and C—H...O hydrogen bonds.

  1. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    He, Jiang-Hong [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Xiao, Dong-Rong, E-mail: xiaodr98@yahoo.com.cn [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Luo, Qun-Li, E-mail: qlluo@swu.edu.cn [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Wang, En-Bo, E-mail: wangeb889@nenu.edu.cn [Key Laboratory of Polyoxometalate Science of Ministry of Education, Department of Chemistry, Northeast Normal University, Changchun 130024 (China)

    2013-02-15

    Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]{center_dot}H{sub 2}O (1), [M(norfH)(bpdc)]{center_dot}H{sub 2}O (M=Cd (2) and Mn (3)), [Mn{sub 2}(cfH)(odpa)(H{sub 2}O){sub 3}]{center_dot}0.5H{sub 2}O (4), [Co{sub 2}(norfH)(bpta)({mu}{sub 2}-H{sub 2}O)(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O (5) and [Co{sub 3}(saraH){sub 2}(Hbpta){sub 2}(H{sub 2}O){sub 4}]{center_dot}9H{sub 2}O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4 Prime -biphenyldicarboxylate, odpa=4,4 Prime -oxydiphthalate, bpta=3,3 Prime ,4,4 Prime -biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed. - Graphical abstract: Six novel 2D metal-quinolone complexes have been prepared by self-assemblies of the quinolones and metal salts in the presence of long aromatic polycarboxylates. Highlights: Black-Right-Pointing-Pointer Compounds 1-3 consist of novel 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Black-Right-Pointing-Pointer Compounds 4 and 5 are two novel 2D layers based on tetranuclear Mn or Co clusters with kgd topology. Black-Right-Pointing-Pointer Compound 6 is the first example of metal-quinolone complexes with 2D bilayer structure. Black-Right-Pointing-Pointer Compounds 1-6 represent six unusual

  2. Graphene-palladium nanowires based electrochemical sensor using ZnFe2O4-graphene quantum dots as an effective peroxidase mimic.

    Science.gov (United States)

    Liu, Weiyan; Yang, Hongmei; Ma, Chao; Ding, Ya-nan; Ge, Shenguang; Yu, Jinghua; Yan, Mei

    2014-12-10

    We proposed an electrochemical DNA sensor by using peroxidase-like magnetic ZnFe2O4-graphene quantum dots (ZnFe2O4/GQDs) nanohybrid as a mimic enzymatic label. Aminated graphene and Pd nanowires were successively modified on glassy carbon electrode, which improved the electronic transfer rate as well as increased the amount of immobilized capture ssDNA (S1). The nanohybrid ZnFe2O4/GQDs was prepared by assembling the GQDs on the surface of ZnFe2O4 through a photo-Fenton reaction, which was not only used as a mimic enzyme but also as a carrier to label complementary ssDNA (S3). By synergistically integrating highly catalytically activity of nano-sized GQDs and ZnFe2O4, the nanohybrid possessed highly-efficient peroxidase-like catalytic activity which could produce a large current toward the reduction of H2O2 for signal amplification. Thionine was used as an excellent electron mediator. Compared with traditional enzyme labels, the mimic enzyme ZnFe2O4/GQDs exhibited many advantages such as environment friendly and better stability. Under the optimal conditions, the approach provided a wide linear range from 10(-16) to 5×10(-9) M and low detection limit of 6.2×10(-17) M. The remarkable high catalytic capability could allow the nanohybrid to replace conventional peroxidase-based assay systems. The new, robust and convenient assay systems can be widely utilized for the identification of other target molecules. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Crystal structure of (CH3H6)3[Y(Edta)F2]xH2O

    International Nuclear Information System (INIS)

    Mistryukov, V.Eh.; Sergeev, A.V.; Chuklanova, E.B.; Mikhajlov, Yu.N.; Shchel okov, R.N.

    1997-01-01

    Difluoroethylenediaminetetraacetatoyttriate of guanidinium of the composition (CH 3 H 6 ) 3 [Y(Edta)F 2 ]xH 2 has been synthesized and studied by X-ray diffraction method. The crystals are monoclinic, unit cell parameters are as follows: a = 17.61(1), b = 10.435 (5), c = 13.467(8) A, β 100.70 (5), Z = 4, sp.gr. P2 1 /n. The structure is solved by the method of heavy atom and refined by means of the least square method in anisotropic approximation for other than hydrogen atoms up to R = 0.050; hydrogen atoms except H atoms in water molecule, localized from difference synthesis, are incorporated in the refining in fixed positions

  4. PMR investigation of configuration and mobility of H5O2+ ions in certain tungsten heteropolyacid hexahydrates

    International Nuclear Information System (INIS)

    Chuvaev, V.F.; Barash, A.B.

    1982-01-01

    PMR-method of wide bands has been used to investigate hexahydrates of tungsten typical heteropolyacids (HPA): H 3 PW 12 O 40 x6H 2 O, H 4 SiW 12 O 40 x6H 2 O, H 5 BW 12 O 40 x6H 2 O. The results are considered from the viewpoint of existing ideas on formation of H 5 O 2+ diaquohydrogen ions in the HPA structure. SoMe problems of stabilization of low-level hydrates of tungsten and molybdenum HPA are considered as well. The data of PMR low-temperature (80K) spectra have been used to identify the H 3 O + ions, H 2 O mole-- cules and small number of free protons in the investigated HPA. Taking this into account the H 5 O 2+ under the conditions of solid lattice is characterized as static distribution of proton between two molecules of the water of H 3 O + xH 2 O group. Dependence of the PMR spectra on temperature detects two transition regions, caused by mobility of the H 5 O 2+ elements. In the region of first transition (up to 250 K) the H 3 O + xH 2 O static configuration became dynamical, because of quick proton fluctuation along the 0...0 bond and librations of the H 2 O molequles. Then, higher than 250K, the H 5 O 2+ motion became more isotopic and then diffusion. Dynamical state of the H 5 O 2+ in H 3 PW 12 O 40 x6H 2 O and H 4 SiW 12 O 40 x6H 2 O hexahydrates in the wide temperature range is of limited nature, caused by specific of the H 5 O 2+ localizetion in the HPA structure

  5. Photochemical degradation of diethyl phthalate with UV/H{sub 2}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Xu Bin [State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092 (China); Gao Naiyun [State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092 (China)]. E-mail: gaonaiyun@mail.tongji.edu.cn; Sun Xiaofeng [State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092 (China); Xia Shengji [State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092 (China); Rui Min [State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092 (China); Simonnot, Marie-Odile [Laboratory of Chemical Engineering Science, CNRS-INPL, 1 rue Grandville, BP451, F-54001 Nancy Cedex (France); Causserand, Christel [Laboratory of Chemical Engineering, UMR 5503 CNRS INP, Universite Paul Sabatier, 31062 Toulouse Cedex 9 (France); Zhao Jianfu [State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092 (China)

    2007-01-02

    The decomposition of diethyl phthalate (DEP) in water using UV-H{sub 2}O{sub 2} process was investigated in this paper. DEP cannot be effectively removed by UV radiation and H{sub 2}O{sub 2} oxidation alone, while UV-H{sub 2}O{sub 2} combination process proved to be effective and could degrade this compound completely. With initial concentration about 1.0 mg/L, more than 98.6% of DEP can be removed at time of 60 min under intensity of UV radiation of 133.9 {mu}W/cm{sup 2} and H{sub 2}O{sub 2} dosage of 20 mg/L. The effects of applied H{sub 2}O{sub 2} dose, UV radiation intensity, water temperature and initial concentration of DEP on the degradation of DEP have been examined in this study. Degradation mechanisms of DEP with hydroxyl radicals oxidation also have been discussed. Removal rate of DEP was sensitive to the operational parameters. A simple kinetic model is proposed which confirms to pseudo-first order reaction. There is a linear relationship between rate constant k and UV intensity and H{sub 2}O{sub 2} concentration.

  6. H2O2 Production in Microbial Electrochemical Cells Fed with Primary Sludge.

    Science.gov (United States)

    Ki, Dongwon; Popat, Sudeep C; Rittmann, Bruce E; Torres, César I

    2017-06-06

    We developed an energy-efficient, flat-plate, dual-chambered microbial peroxide producing cell (MPPC) as an anaerobic energy-conversion technology for converting primary sludge (PS) at the anode and producing hydrogen peroxide (H 2 O 2 ) at the cathode. We operated the MPPC with a 9 day hydraulic retention time in the anode. A maximum H 2 O 2 concentration of ∼230 mg/L was achieved in 6 h of batch cathode operation. This is the first demonstration of H 2 O 2 production using PS in an MPPC, and the energy requirement for H 2 O 2 production was low (∼0.87 kWh/kg H 2 O 2 ) compared to previous studies using real wastewaters. The H 2 O 2 gradually decayed with time due to the diffusion of H 2 O 2 -scavenging carbonate ions from the anode. We compared the anodic performance with a H 2 -producing microbial electrolysis cell (MEC). Both cells (MEC and MPPC) achieved ∼30% Coulombic recovery. While similar microbial communities were present in the anode suspension and anode biofilm for the two operating modes, aerobic bacteria were significant only on the side of the anode facing the membrane in the MPPC. Coupled with a lack of methane production in the MPPC, the presence of aerobic bacteria suggests that H 2 O 2 diffusion to the anode side caused inhibition of methanogens, which led to the decrease in chemical oxygen demand removal. Thus, the Coulombic efficiency was ∼16% higher in the MPPC than in the MEC (64% versus 48%, respectively).

  7. 2-(4-Methylphenyl-7-(2-methylpropoxy-4H-chromen-4-one–6-chloro-2-(4-methylphenyl-7-(2-methylpropoxy-4H-chromen-4-one (19/1

    Directory of Open Access Journals (Sweden)

    Vijay M. Barot

    2012-08-01

    Full Text Available The title co-crystal, 0.95C20H20O3·0.05C20H19ClO3, arises as the chloride carried over during the synthesis shares a position with an aromatic H atom; the partial occupancies are 0.947 (2 and 0.053 (2 for H and Cl, respectively. The molecular structure is stabilized by intramolecular C—H...O contacts, forming pseudo five- and six-membered rings with S(5 and S(6 graph-set motifs, respectively. The crystal structure features π–π stacking interactions between the centroids of the central fused ring systems [centroid–centroid distance = 3.501 (2 Å].

  8. Theoretical study of EPR spectra in Cu2+ - and Mn2+ - doped CaCd(CH3COO)4.6H2O

    International Nuclear Information System (INIS)

    Zhou Yiyang; Zhao Minguang

    1987-08-01

    The EPR spectra of CaCd(CH 3 COO) 4 .6H 2 O doped with Cu 2+ and Mn 2+ have been studied theoretically. A comparison between the calculated results and the experimental data shows quantitatively that the Cu 2+ and Mn 2+ ions substitute for the Cd 2+ and Ca 2+ ions, respectively. This conclusion is consistent with the qualitative assumption given by previous authors. (author). 36 refs, 1 fig., 3 tabs

  9. Densities and apparent molar volumes of atmospherically important electrolyte solutions. 2. The systems H(+)-HSO4(-)-SO4(2-)-H2O from 0 to 3 mol kg(-1) as a function of temperature and H(+)-NH4(+)-HSO4(-)-SO4)2-)-H2O from 0 to 6 mol kg(-1) at 25 °C using a Pitzer ion interaction model, and NH4HSO4-H2O and (NH4)3H(SO4)2-H2O over the entire concentration range.

    Science.gov (United States)

    Clegg, S L; Wexler, A S

    2011-04-21

    A Pitzer ion interaction model has been applied to the systems H(2)SO(4)-H(2)O (0-3 mol kg(-1), 0-55 °C) and H(2)SO(4)-(NH(4))(2)SO(4)-H(2)O (0-6 mol kg(-1), 25 °C) for the calculation of apparent molar volume and density. The dissociation reaction HSO(4)(-)((aq)) ↔ H(+)((aq)) + SO(4)(2-)((aq)) is treated explicitly. Apparent molar volumes of the SO(4)(2-) ion at infinite dilution were obtained from part 1 of this work, (1) and the value for the bisulfate ion was determined in this study from 0 to 55 °C. In dilute solutions of both systems, the change in the degree of dissociation of the HSO(4)(-) ion with concentration results in much larger variations of the apparent molar volumes of the solutes than for conventional strong (fully dissociated) electrolytes. Densities and apparent molar volumes are tabulated. Apparent molar volumes calculated using the model are combined with other data for the solutes NH(4)HSO(4) and (NH(4))(3)H(SO(4))(2) at 25 °C to obtain apparent molar volumes and densities over the entire concentration range (including solutions supersaturated with respect to the salts).

  10. Vibrational spectroscopy of NO^+(H_2O)_n: Evidence for the intracluster reaction NO^+(H_2O)_n→H_3O^+(H_2O)_(n-2)(HONO) at n≥4

    OpenAIRE

    Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

    1994-01-01

    Infrared spectra of mass‐selected clusters NO^+(H_2O)_n for n=1 to 5 were recorded from 2700 to 3800 cm^(−1) by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second‐order Møller–Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H_2O...

  11. Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C2H2H2O and C2H4H2O complexes

    DEFF Research Database (Denmark)

    Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

    2017-01-01

    -bonded configuration with the H2O subunit acting as the hydrogen bond donor to the π-cloud of C2H4. A (semi)-empirical value for the change of vibrational zero-point energy of 4.0–4.1 kJ mol−1 is proposed and the combination with quantum chemical calculations at the CCSD(T)-F12b/aug-cc-pVQZ level provides a reliable....... The present findings demonstrate that the relative stability of the weak hydrogen bond motifs is not entirely rooted in differences of electronic energy but also to a large extent by differences in the vibrational zero-point energy contributions arising from the class of large-amplitude intermolecular modes....... estimate of 7.1 ± 0.3 kJ mol−1 for the dissociation energy D0 of the C2H4—H2O complex. In addition, tentative assignments for the two strongly infrared active OH librational modes of the ternary C2H4—HOH—C2H4 complex having H2O as a doubly OH⋯π hydrogen bond donor are proposed at 213.6 and 222.3 cm−1...

  12. Electronic and electrochemical properties of platinum(II) and platinum-mercury-carboxylato complexes containing 2-Me2NCH2C6H4, 2,6-(Me2NCH2)2C6H3- and 2-Me2NC6H4CH2 - ligands

    NARCIS (Netherlands)

    Koten, G. van; Ploeg, A.F.M.J. van der; Schmitz, J.E.J.; Linden, J.G.M. van der

    1982-01-01

    The organoplatinum(II) compounds [{2, 6-(Me{2}NCH{2}){2}C{6}H{3}}PtBr] and cis-[(C-N){2}Pt] (C-N = 2-Me{2}NCH{2}C{6}H{4}, 2-Me{2}NC{6}H{4}CH{2}) can be chemically irreversibly oxidized in the potential range 1.00 to 1.35 V vs. an Ag/AgCl electrode, whereas the organoplatinum@?mercury complexes

  13. The cocrystal μ-oxalato-κ4O1,O2:O1′,O2′-bis(aqua(nitrato-κO{[1-(2-pyridyl-κNethylidene]hydrazine-κN}copper(II μ-oxalato-κ4O1,O2:O1′,O2′-bis((methanol-κO(nitrato-κO{[1-(2-pyridyl-κNethylidene]hydrazine-κN}copper(II (1/1

    Directory of Open Access Journals (Sweden)

    Youssouph Bah

    2008-09-01

    Full Text Available The title cocrystal, [Cu2(C2O4(NO32(C7H9N32(H2O2][Cu2(C2O4(NO32(C7H9N32(CH4O2], is a 1:1 cocrystal of two centrosymmetric CuII complexes with oxalate dianions and Schiff base ligands. In each molecule, the CuII centre is in a distorted octahedral cis-CuN2O4 environment, the donor atoms of the N,N′-bidentate Schiff base ligand and the bridging O,O′-bidentate oxalate group lying in the equatorial plane. In one molecule, a monodentate nitrate anion and a water molecule occupy the axial sites, and in the other, a monodentate nitrate anion and a methanol molecule occupy these sites. In the crystal structure, intermolecular N—H...O, O—H...O and N—H...N hydrogen bonds link the molecules into a network. Weak intramolecular N—H...O interactions are also observed.

  14. Phase relations and crystal structures in the systems (Bi,Ln)2WO6 and (Bi,Ln)2MoO6 (Ln=lanthanide)

    International Nuclear Information System (INIS)

    Berdonosov, Peter S.; Charkin, Dmitri O.; Knight, Kevin S.; Johnston, Karen E.; Goff, Richard J.; Dolgikh, Valeriy A.; Lightfoot, Philip

    2006-01-01

    Several outstanding aspects of phase behaviour in the systems (Bi,Ln) 2 WO 6 and (Bi,Ln) 2 MoO 6 (Ln=lanthanide) have been clarified. Detailed crystal structures, from Rietveld refinement of powder neutron diffraction data, are provided for Bi 1.8 La 0.2 WO 6 (L-Bi 2 WO 6 type) and BiLaWO 6 , BiNdWO 6 , Bi 0.7 Yb 1.3 WO 6 and Bi 0.7 Yb 1.3 WO 6 (all H-Bi 2 WO 6 type). Phase evolution within the solid solution Bi 2- x La x MoO 6 has been re-examined, and a crossover from γ(H)-Bi 2 MoO 6 type to γ-R 2 MoO 6 type is observed at x∼1.2. A preliminary X-ray Rietveld refinement of the line phase BiNdMoO 6 has confirmed the α-R 2 MoO 6 type structure, with a possible partial ordering of Bi/Nd over the three crystallographically distinct R sites. - Graphical abstract: A summary of phase relations in the lanthanide-doped bismuth tungstate and bismuth molybdate systems is presented, together with some additional structural data on several of these phases

  15. Synthesis and photocatalytic properties of MgBi2O6 with Ag additions

    Science.gov (United States)

    Zhong, Liansheng; Hu, Chaohao; Zhu, Binqing; Zhong, Yan; Zhou, Huaiying

    2018-02-01

    Ag-doped MgBi2O6 photocatalysts were synthesized by the low temperature hydrothermal method in combination with heat treatment reaction using NaBiO2H2O, MgCl2·6H2O, and AgNO3 as raw materials. The products were characterized by using power X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Energy dispersive X-ray detector (EDS), and UV-Vis diffusion reflectance spectra. The photocatalytic activity of MgBi2O6 with Ag additions was evaluated by degrading MB (10 mg/L) under visible light irradiation (λ > 420 nm). The results showed that in comparison with pure MgBi2O6, the photocatalytic activity of MgBi2O6 with about 5% Ag concentration is increased by about 24% after 120 min reaction. The enhancement of catalytic activity of Ag-doped MgBi2O6 photocatalysts should be related to the band structure, morphology and larger specific surface area.

  16. Synthesis and Crystal Structure of an Unprecedented Supramolecular Complex[Co(μ2-ClO4)2(H2O)22MA

    Institute of Scientific and Technical Information of China (English)

    XU,Jing; BAI,Zhengshuai; SUN,Weiyin

    2009-01-01

    A new supramolecular framework[Co(μ2-C104)2(H2O)22MA(1)[MA=melamine(C3H6N6)]has been syn-thesized by a hydrothermal method.Interestingly,there ale inorganic and organic building blocks with two different supramolecular synthons:(a)2D(4,4)network constructed by infinite inorganic 1D chains through interchain hy-drogen bonding interactions;(b)1D zigzag organic chains formed by hydrogen bonds, which further stack up through,ππ-interactions between the two adjacent MA molecules.The entire structure of 1 is a 3D supramolecular framework resulting from the presence of abundant hydrogen bonds between infinite[CO(μ2-C1O4)2(H2O)2]n chains and zigzag MA chains in different sheets.1 gives a nice example of supramolecular framework based on non-covalent interactions including hydrogen bonding and π-π interactions.

  17. Photogeneration of H2O2 in Water-Swollen SPEEK/PVA Polymer Films.

    Science.gov (United States)

    Lockhart, PaviElle; Little, Brian K; Slaten, B L; Mills, G

    2016-06-09

    Efficient reduction of O2 took place via illumination with 350 nm photons of cross-linked films containing a blend of sulfonated poly(ether etherketone) and poly(vinyl alcohol) in contact with air-saturated aqueous solutions. Swelling of the solid macromolecular matrices in H2O enabled O2 diffusion into the films and also continuous extraction of the photogenerated H2O2, which was the basis for a method that allowed quantification of the product. Peroxide formed with similar efficiencies in films containing sulfonated polyketones prepared from different precursors and the initial photochemical process was found to be the rate-determining step. Generation of H2O2 was most proficient in the range of 4.9 ≤ pH ≤ 8 with a quantum yield of 0.2, which was 10 times higher than the efficiencies determined for solutions of the polymer blend. Increases in temperature as well as [O2] in solution were factors that enhanced the H2O2 generation. H2O2 quantum yields as high as 0.6 were achieved in H2O/CH3CN mixtures with low water concentrations, but peroxide no longer formed when film swelling was suppressed. A mechanism involving reduction of O2 by photogenerated α-hydroxy radicals from the polyketone in competition with second-order radical decay processes explains the kinetic features. Higher yields result from the films because cross-links present in them hinder diffusion of the radicals, limiting their decay and enhancing the oxygen reduction pathway.

  18. {6,6′-Dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethylidyne]diphenolato-1κ4O1,O1′,O6,O6′:2κ4O1,N,N′,O1′}(ethanol-1κO-μ-nitrato-1:2κ2O:O′-dinitrato-1κ4O,O′-samarium(IIIzinc(II

    Directory of Open Access Journals (Sweden)

    Qiang Huang

    2009-10-01

    Full Text Available In the title heteronuclear ZnII–SmIII complex, [SmZn(C18H18N2O4(NO33(CH3CH2OH], with the hexadentate Schiff base compartmental ligand N,N′-bis(3-methoxysalicylideneethylenediamine (H2L, the SmIII and ZnII ions are triply bridged by two phenolate O atoms from the Schiff base ligand and one nitrate anion. The five-coordinate ZnII ion is in a square-pyramidal geometry formed by the donor centers of two imine N atoms, two phenolate O atoms and one of the bridging nitrate O atoms. The SmIII center is in a ten-fold coordination of O atoms, involving the phenolate O atoms, two methoxy O atoms, one ethanol O atom, and two O atoms from two nitrate anions and one from the bridging nitrate anion. In the crystal, intermolecular O—H...O and C—H...O interactions generate a layer structure extending parallel to (101.

  19. Electrical conduction of glasses in the system Fe2O3-Sb2O3-TeO2; Fe2O3-Sb2O3-TeO2 kei garasu no denki dendo

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Honghua; Mori, H; Sakata, H; Hirayama, T [Tokai Univ., Tokyo (Japan). Faculty of Engineering

    1995-01-01

    In this study, taking into consideration that TeO2 is a component of the glass network and Sb2O3 shows the redox effect in the glasses reducing its possibility of transformation of Sb{sup 3+} to Sb{sup 5+} as well as glass basicity, highly conductive tellurite based glasses have been prepared by the press-quenching method selecting the Fe2O3-Sb2O3-TeO2 system, and the electroconductive mechanism of the glasses has been examined by measuring its D.C. conductivity {sigma}. Part of the obtained information is as follows; the glass formation range of the Fe2O3-Sb2O3-TeO2 system has been 0 {le} Fe2O3 {le} 15mol%, 0 {le} Sb2O3 {le} 18mol% and 78 {le} TeO2 {le} 100mol% and about 15mol% of the additional amount of Fe2O3 has been the limit of glass formation. As the amount of Fe2O3 has increased, C{sub Fe} has also increased and with this, the linear electroconductivity of the glasses has increased from 1.86 {times} 10{sup -7}S{center_dot}cm{sup -1} to 1.62 {times} 10{sup -6}S{center_dot}cm{sup -1} and the glasses have been confirmed as the n-type semiconductor. The factor determining {sigma} of the glasses has been C{sub Fe} which has increased as the amount of Fe2O3 has increased. 34 refs., 8 figs., 2 tabs.

  20. Prediction of absolute infrared intensities for the fundamental vibrations of H2O2

    Science.gov (United States)

    Rogers, J. D.; Hillman, J. J.

    1981-01-01

    Absolute infrared intensities are predicted for the vibrational bands of gas-phase H2O2 by the use of a hydrogen atomic polar tensor transferred from the hydroxyl hydrogen atom of CH3OH. These predicted intensities are compared with intensities predicted by the use of a hydrogen atomic polar tensor transferred from H2O. The predicted relative intensities agree well with published spectra of gas-phase H2O2, and the predicted absolute intensities are expected to be accurate to within at least a factor of two. Among the vibrational degrees of freedom, the antisymmetric O-H bending mode nu(6) is found to be the strongest with a calculated intensity of 60.5 km/mole. The torsional band, a consequence of hindered rotation, is found to be the most intense fundamental with a predicted intensity of 120 km/mole. These results are compared with the recent absolute intensity determinations for the nu(6) band.

  1. Characterization and optimization of cathodic conditions for H2O2 synthesis in microbial electrochemical cells.

    Science.gov (United States)

    Sim, Junyoung; An, Junyeong; Elbeshbishy, Elsayed; Ryu, Hodon; Lee, Hyung-Sool

    2015-11-01

    Cathode potential and O2 supply methods were investigated to improve H2O2 synthesis in an electrochemical cell, and optimal cathode conditions were applied for microbial electrochemical cells (MECs). Using aqueous O2 for the cathode significantly improved current density, but H2O2 conversion efficiency was negligible at 0.3-12%. Current density decreased for passive O2 diffusion to the cathode, but H2O2 conversion efficiency increased by 65%. An MEC equipped with a gas diffusion cathode was operated with acetate medium and domestic wastewater, which presented relatively high H2O2 conversion efficiency from 36% to 47%, although cathode overpotential was fluctuated. Due to different current densities, the maximum H2O2 production rate was 141 mg H2O2/L-h in the MEC fed with acetate medium, but it became low at 6 mg H2O2/L-h in the MEC fed with the wastewater. Our study clearly indicates that improving anodic current density and mitigating membrane fouling would be key parameters for large-scale H2O2-MECs. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. Glass transition on the development of a hydrogen-bond network in nano-channel ice, and subsequent phase transitions of the ordering of hydrogen atom positions within the network in [Co(H{sub 2}bim){sub 3}](TMA){center_dot}20H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Keisuke [Department of Chemistry, Graduate School of Science and Engineering, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro-ku, Tokyo 152-8551 (Japan); Oguni, Masaharu [Department of Chemistry, Graduate School of Science and Engineering, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro-ku, Tokyo 152-8551 (Japan); Tadokoro, Makoto [Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Oohata, Yuki [Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Nakamura, Ryouhei [Department of Chemistry, Graduate School of Science, Osaka Municipal University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585 (Japan)

    2006-09-20

    Low-temperature thermal properties of crystalline [Co(H{sub 2}bim){sub 3}](TMA){center_dot}20H{sub 2}O were studied by adiabatic calorimetry, where H{sub 2}bim is 2,2'-biimidazole, TMA is 1,3,5-benzene tricarboxylic acid, and 20H{sub 2}O represents the water forming nano-channel in the crystal. A glass transition was observed at T{sub g} = 107 K. It was discussed as a freezing-in phenomenon of a small number of water molecules remaining partially disordered in their positional arrangement. The possibility that some defects really remain in the hydrogen-bond network of channel water was mentioned. Two subsequent phase transitions were observed at 54.8 and 59 K. These were interpreted as being of a (super-structural commensurate)-incommensurate-(normal commensurate) type in the heating direction with respect to the hydrogen-atom positions as referred to the periodicity of the hydrogen-bond network. The transition entropy was evaluated to be 0.65 J K{sup -1}(H{sub 2}O-mol){sup -1} as a total of the two, indicating that the disorder of the hydrogen atoms is present only in part of the water molecules of the channel. Based on the fact that the excess heat capacity due to the equilibrium phase transition is observed down to 35-40 K, the relaxation time for the rearrangement of the hydrogen-atom positions was assumed at the longest to be 1 ks at 35 K. This indicates that the activation energy of the rearrangement amounts to at most 13 kJ mol{sup -1} and that the transfer of Bjerrum defects is attributed to the rearrangement.

  3. Optical properties of pH-sensitive carbon-dots with different modifications

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Weiguang, E-mail: 11236095@zju.edu.cn [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Wu, Huizhen, E-mail: hzwu@zju.edu.cn [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Ye, Zhenyu, E-mail: yzheny@zju.edu.cn [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Li, Ruifeng, E-mail: hbrook@zju.edu.cn [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Xu, Tianning, E-mail: xtn9886@zju.edu.cn [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Department of Science, Zhijiang College of Zhejiang University of Technology, Hangzhou, Zhejiang 310024 (China); Zhang, Bingpo, E-mail: 11006080@zju.edu.cn [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China)

    2014-04-15

    Carbon dots with unique characters of chemical inertness, low cytotoxicity and good biocompatibility, demonstrate important applications in biology and optoelectronics. In this paper we report the optical properties of pH-sensitive carbon dots with different surface modifications. The as-prepared carbon dots can be well dispersed in water by modifying with acid, alkali or metal ions though they tend to form a suspension when being directly dispersed in water. We find that the carbon dots dispersed in water show a new emission and absorption character which is tunable due to the pH-sensitive nature. It is firstly proved that the addition of bivalent copper ions offers a high color contrast for visual colorimetric assays for pH measurement. The effect of surface defects with different modification on the performances of the carbon dots is also explored with a core–shell model. The hydro-dispersed carbon dots can be potentially utilized for cellular imaging or metal ion probes in biochemistry. -- Highlights: • The dispersibility in water of as-prepared carbon dots is effectively improved by the addition of acid, alkali or metal ions. • The effect of hydrolysis on the optical properties of the carbon dots is studied. • The luminescent carbon dots show a pH-sensitive fluorescence and absorption property. • The addition of bivalent copper ions in the post-treated carbon dots offers a high color contrast for visual colorimetric assays for pH measurement. • The effect of surface defects and ligands on the performances of the carbon dots is also explored.

  4. Degradation mechanisms of Microcystin-LR during UV-B photolysis and UV/H2O2 processes: Byproducts and pathways.

    Science.gov (United States)

    Moon, Bo-Ram; Kim, Tae-Kyoung; Kim, Moon-Kyung; Choi, Jaewon; Zoh, Kyung-Duk

    2017-10-01

    The removal and degradation pathways of microcystin-LR (MC-LR, [M+H] +  = 995.6) in UV-B photolysis and UV-B/H 2 O 2 processes were examined using liquid chromatography-tandem mass spectrometry. The UV/H 2 O 2 process was more efficient than UV-B photolysis for MC-LR removal. Eight by-products were newly identified in the UV-B photolysis ([M+H] +  = 414.3, 417.3, 709.6, 428.9, 608.6, 847.5, 807.4, and 823.6), and eleven by-products were identified in the UV-B/H 2 O 2 process ([M+H] +  = 707.4, 414.7, 429.3, 445.3, 608.6, 1052.0, 313.4, 823.6, 357.3, 245.2, and 805.7). Most of the MC-LR by-products had lower [M+H] + values than the MC-LR itself during both processes, except for the [M+H] + value of 1052.0 during UV-B photolysis. Based on identified by-products and peak area patterns, we proposed potential degradation pathways during the two processes. Bond cleavage and intramolecular electron rearrangement by electron pair in the nitrogen atom were the major reactions during UV-B photolysis and UV-B/H 2 O 2 processes, and hydroxylation by OH radical and the adduct formation reaction between the produced by-products were identified as additional pathways during the UV-B/H 2 O 2 process. Meanwhile, the degradation by-products identified from MC-LR during UV-B/H 2 O 2 process can be further degraded by increasing H 2 O 2 dose. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Application of H2O2 and H2O2/Fe0 in removal of Acid Red 18 dye from aqueous solutions

    Directory of Open Access Journals (Sweden)

    Nazari Shahram

    2013-08-01

    Full Text Available Background & Aims of the Study: Organic dyes with a complex structure are often toxic, carcinogenic, mutagenic, non-biodegradation and stable in the environment and if released to the environment without treatment can endanger the environment and human health. The aim of this study was to evaluate the performance of H2O2 and H2O2/Fe0 Iron in removal of dye Acid Red 18 from aqueous solutions. Materials & Methods: This study was conducted at the laboratory scale. In this study, the removal efficiency of Acid Red 18 from a synthetic solution by H2O2 and H2O2/Fe0 was investigated. As well as Effect of solution pH, dye concentration, Concentration of Nanoscale Zero-Valent Iron, H2O2 and contact time in decolorization efficiency was investigated. Results: Results show that in pH=3, Contact time of 80 minutes, dye concentration of 50 mg/l and Concentration of Nanoscale Zero-Valent Iron of 2 g/l and H2O2 concentration equal to 200 mmol/l, the removal efficiency was about 98%. Conclusions: According to the results of experiments, H2O2/Fe0 has high efficiency in removal of Acid Red 18 from aqueous solution.

  6. Propane-1,2-diammonium bis(pyridine-2,6-dicarboxylato-κ3O,N,O′nickelate(II tetrahydrate

    Directory of Open Access Journals (Sweden)

    Mohammad Ghadermazi

    2008-07-01

    Full Text Available The reaction of nickel(II nitrate hexahydrate, propane-1,2-diamine and pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C3H12N2[Ni(C7H3NO42]·4H2O or (p-1,2-daH2[Ni(pydc2]·4H2O (where p-1,2-da is propane-1,2-diamine and pydcH2 is pyridine-2,6-dicarboxylic acid. The geometry of the resulting NiN2O4 coordination can be described as distorted octahedral. Considerable C=O...π stacking interactions are observed between the carboxylate C=O groups and the pyridine rings of the (pydc2− fragments, with O...π distances of 3.1563 (12 and 3.2523 (12 Å and C=O...π angles of 95.14 (8 and 94.64 (8°. In the crystal structure, a wide range of non-covalent interactions, consisting of hydrogen bonding [O—H...O, N—H...O and C—H...O, with D...A distances ranging from 2.712 (2 to 3.484 (2 Å], ion pairing, π–π [centroid-to-centroid distance = 3.4825 (8 Å] and C=O...π stacking, connect the various components to form a supramolecular structure.

  7. Design and syntheses of hybrid metal-organic materials based on K3[M(C2O4)3]·3H2O [M(III)=Fe, Al, Cr] metallotectons

    Science.gov (United States)

    Sun, Yayong; Zong, Yingxia; Ma, Haoran; Zhang, Ao; Liu, Kang; Wang, Debao; Wang, Wenqiang; Wang, Lei

    2016-05-01

    By using K3[M(C2O4)3]·3H2O [M(III)=Fe, Al, Cr] (C2O42-=oxalate) metallotectons as the starting material, we have synthesized eight novel complexes with formulas [{Fe(C2O4)2(H2O)2}2]·(H-L1)2·H2O 1, [Fe(C2O4)Cl2]·(H2-L2)0.5·(L2)0.5·H2O 2, [{Fe(C2O4)1.5Cl2}2]·(H-L3)43, [Fe2(C2O4)Cl8]·(H2-L4)2·2H2O 4, K[Al(C2O4)3]·(H2-L5)·2H2O 5, K[Al(C2O4)3]·(H-L6)2·2H2O 6, K[Cr(C2O4)3]·2H2O 7, Na[Fe(C2O4)3]·(H-L6)2·2H2O 8 (with L1=4-dimethylaminopyridine, L2=2,3,5,6-tetramethylpyrazine, L3=2-aminobenzimidazole, L4=1,4-bis-(1H-imidazol-1-yl)benzene, L5=1,4-bis((2-methylimidazol-1-yl)methyl)benzene, L6=2-methylbenzimidazole). Their structures have been determined by single-crystal X-ray diffraction analyses, elemental analyses, IR spectra and thermogravimetric analyses. Compound 3 is a 2D H-bonded supramolecular architecture. Others are 3D supramolecular structures. Compound 1 shows a [Fe(C2O4)2(H2O)2]- unit and 3D antionic H-bonded framework. Compound 2 features a [Fe(C2O4)Cl2]- anion and 1D iron-oxalate-iron chain. Compound 3 features a [Fe2(C2O4)3Cl4]4- unit. Compound 4 features distinct [Fe2(C2O4)Cl8]4- units, which are mutual linked by water molecules to generated a 2D H-bonded network. Compound 5 features infinite ladder-like chains constructed by [Al(C2O4)3]3- units and K+ cations. The 1D chains are further extended into 3D antionic H-bonded framework through O-H···O H-bonds. Compounds 6-8 show 2D [KAl(C2O4)3]2- layer, [KCr(C2O4)3]2- layer and [NaFe(C2O4)3]2- layer, respectively.

  8. Different Dimensional and Structural Variations in Coordination Compounds of Cadmium, Manganese and Nickel Constructed from the Ligand 2,2'-Bipyidine-3,3',6,6'-tetracarboxylic Acid (H{sub 4}bptc)

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Jing; Yang, Tiantian; Fu, Lulu; Luo, Ya; Wu, Jiashou [Yangtze Univ., Jingzhou (China)

    2013-09-15

    The reactions of hydrated CdCl{sub 2}, MnCl{sub 2}, and NiCl{sub 2} with 2,2'-bipyidine-3,3',6,6'-tetracarboxylic acid (H{sub 4}bptc) afforded the mononuclear [Cd{sup II}(H{sub 2}bptc)(H{sub 2}O){sub 3}]·H{sub 2}O (1), linear [Cd(H{sub 2}bptc)(H{sub 2}O)]·3H{sub 2}O{sub n} (2), 3-D hetero-bimetallic [NaCd(Hbptc)(H{sub 2}O)] (3), layer [Mn(H{sub 2}bptc)(H{sub 2}O)]n (4) and a dinuclear compound [Ni{sub 2}(H{sub 2}bptc)-(H{sub 2}O){sub 2}]·6H{sub 2}O (5). These compounds have been characterized by elemental analysis, IR, and their structures have been determined by X-ray crystallography. The thermal stabilities of 1-3 were measured by thermogravimetric analysis (TGA) and their solid state luminescence properties together with the free ligand H{sub 4}bptc were investigated at room temperature.

  9. Crystal structure of catena-poly[[tetraaquamagnesium]-μ-(dihydrogen hypodiphosphato-κ2O:O′

    Directory of Open Access Journals (Sweden)

    Mimoza Gjikaj

    2015-07-01

    Full Text Available The crystal structure of the title compound, [Mg(H2P2O6(H2O4]n, is built up from (H2P2O62− anions bridging Mg2+ cations into chains extending parallel to [011]. The Mg2+ ion is located on an inversion centre and is octahedrally coordinated by the O atoms of two (H2P2O62− anions and four water molecules. The centrosymmetric (H2P2O62− anion has a staggered conformation whereby the tetravalent phosphorus atom is surrounded tetrahedrally by three O atoms and by one symmetry-related P atom. A three-dimensional O—H...O hydrogen-bonded network of medium strength involving the P—OH group of the anion and the water molecules is present.

  10. Densities, viscosities, and refractive indexes for {C2H5CO2(CH2)2CH3+C6H13OH+C6H6} at T=308.15 K

    International Nuclear Information System (INIS)

    Casas, Herminio; Garcia-Garabal, Sandra; Segade, Luisa; Cabeza, Oscar.; Franjo, Carlos; Jimenez, Eulogio

    2003-01-01

    In this work we present densities, kinematic viscosities, and refractive indexes of the ternary system {C 2 H 5 CO 2 (CH 2 ) 2 CH 3 +C 6 H 13 OH+C 6 H 6 } and the corresponding binary mixtures {C 2 H 5 CO 2 (CH 2 ) 2 CH 3 +C 6 H 6 }, {C 2 H 5 CO 2 (CH 2 ) 2 CH 3 +C 6 H 13 OH}, and {C 6 H 13 OH+C 6 H 6 }. All data have been measured at T=308.15 K and atmospheric pressure over the whole composition range. The excess molar volumes, dynamic viscosity deviations, and changes of the refractive index on mixing were calculated from experimental measurements. The results for binary mixtures were fitted to a polynomial relationship to estimate the coefficients and standard deviations. The Cibulka equation has been used to correlate the experimental values of ternary mixtures. Also, the experimental values obtained for the ternary mixture were used to test the empirical methods of Kohler, Jacob and Fitzner, Colinet, Tsao and Smith, Toop, Scatchard et al., and Hillert. These methods predict excess properties of the ternary mixtures from those of the involved binary mixtures. The results obtained for dynamic viscosities of the binary mixtures were used to test the semi-empirical relations of Grunberg-Nissan, McAllister, Auslaender, and Teja-Rice. Finally, the experimental refractive indexes were compared with the predicted results for the Lorentz-Lorenz, Gladstone-Dale, Wiener, Heller, and Arago-Biot equations. In all cases, we give the standard deviation between the experimental data and that calculated with the above named relations

  11. Measuring interstitial pH and pO2 in mouse tumors.

    Science.gov (United States)

    Jain, Rakesh K; Munn, Lance L; Fukumura, Dai

    2013-07-01

    This protocol outlines methods to measure two extravascular parameters, interstitial pH and partial pressure of oxygen (pO2), in mouse tumors. The method for measuring interstitial pH uses fluorescence ratio imaging microscopy (FRIM) of the pH-sensitive fluorescent dye 2',7'-bis-(2-carboxyethyl)-5,6-carboxyfluorescein (BCECF). The method for measuring interstitial pO2 is based on the oxygen-dependent quenching of the phosphorescence of albumin-bound palladium meso-tetra(4-carboxyphenyl)porphyrin, and can be used to measure microvascular as well as interstitial pO2. In addition, the two methods can be used sequentially to measure both pH and pO2 in the same tissues.

  12. Mechanism and kinetics of LiX(X=H, D, T) + H2O reaction

    International Nuclear Information System (INIS)

    Lei Hongjie; Duan Hao; Xing Pifeng; Tang Yongjian

    2011-01-01

    The reaction mechanism of LiX(X=H, D, T) with H 2 O was investigated at MP2/6-311G (d) level using ab initio quantum chemistry in Gaussian 03 software. The equilibrium geometries, harmonic frequencies and energy of various stationary points on the potential energy surfaces were calculated in the lowest singlet states. Considering the quantum correction, the reaction rate constants were calculated using classical transition state theory. The results show the reaction of LiH (LiD, LiT) with H 2 O was considerably dependent on temperature that it is lower, the reaction rate constants are smaller. (authors)

  13. Nido-Carborane building-block reagents. 2. Bulky-substituent (alkyl)2C2B4H6 derivatives and (C6H5)2C2B4H6: synthesis and properties

    International Nuclear Information System (INIS)

    Boyter, H.A. Jr.; Grimes, R.N.

    1988-01-01

    The preparation and chemistry of nido-2,3-R 2 C 2 C 2 B 4 H 6 carboranes in which R is n-butyl, isopentyl, n-hexyl, and phenyl was investigated in order to further assess the steric and electronic influence of the R groups on the properties of the nido-C 2 B 4 cage, especially with respect to metal complexation at the C 2 B 3 face and metal-promoted oxidative fusion. The three dialkyl derivatives were prepared from the corresponding dialkylacetylenes via reaction with B 5 H 9 and triethylamine, but the diphenyl compound could not be prepared in this manner and was obtained instead in a thermal reaction of B 5 H 9 with diphenylacetylene in the absence of amine. All four carboranes are readily bridge-deprotonated by NaH in THF, and the anions of the dialkyl species, on treatment with FeCl 2 and air oxidation, generate the respective R 4 C 4 B 8 H 8 carborane fusion products were R = n-C 4 H 9 , i-C 5 H 11 or n-C 6 H 13 . The diphenylcarborane anion Ph 2 C 2 B 4 H 5 - did not form detectable metal complexes with Fe 2+ , Co 2+ , or Ni 2+ , and no evidence of a Ph 4 C 4 B 8 H 8 fusion product has been found. Treatment of Ph 2 C 2 B 4 H 6 with Cr(CO) 6 did not lead to metal coordination of the phenyl rings, unlike (PhCH 2 ) 2 C 2 B 4 H 6 , which had previously been shown to form mono- and bis(tricarbonylchromium) complexes. However, the reaction of Ph 2 C 2 B 4 H 5 - , CoCl 2 , and (PhPCH 2 ) 2 did give 1,1-(Ph 2 PCH 2 ) 2 -1-Cl-1,2,3-Co(Ph 2 C 2 B 4 H 4 ), the only case in which metal complexation of the diphenylcarborane was observed. 14 references, 3 figures, 3 tables

  14. Investigation of the Na2(H2PO2)2 - Ba(H2PO2)2 - H2O Water-Salt Ternary System at Room Temperature

    OpenAIRE

    Erge, Hasan; Turan, Hakan; Kul, Ali Riza

    2016-01-01

    Objective: In this study, the solubility, density, conductivity and phase equilibria of the Na2(H2PO2)2-Ba(H2PO2)2-H2O ternary system located in the structure of the Na+, Ba2+, (H2PO2)-//H2O quaternary reciprocal water-salt system were investigated using physicochemical analysis methods. Material and Methods: Riedel-de Haen and Merck salts were used to investigate the solubility and phase equilibria of the Na2(H2PO2)2 -Ba(H2PO2)2-H2O ternary water–salt system at room temperature Res...

  15. Removal of phenolic endocrine disrupting compounds from waste activated sludge using UV, H2O2, and UV/H2O2 oxidation processes: Effects of reaction conditions and sludge matrix

    International Nuclear Information System (INIS)

    Zhang, Ai; Li, Yongmei

    2014-01-01

    Removal of six phenolic endocrine disrupting compounds (EDCs) (estrone, 17β-estradiol, 17α-ethinylestradiol, estriol, bisphenol A, and 4-nonylphenols) from waste activated sludge (WAS) was investigated using ultraviolet light (UV), hydrogen peroxide (H 2 O 2 ), and the combined UV/H 2 O 2 processes. Effects of initial EDC concentration, H 2 O 2 dosage, and pH value were investigated. Particularly, the effects of 11 metal ions and humic acid (HA) contained in a sludge matrix on EDC degradation were evaluated. A pseudo-first-order kinetic model was used to describe the EDC degradation during UV, H 2 O 2 , and UV/H 2 O 2 treatments of WAS. The results showed that the degradation of the 6 EDCs during all the three oxidation processes fitted well with pseudo-first-order kinetics. Compared with the sole UV irradiation or H 2 O 2 oxidation process, UV/H 2 O 2 treatment was much more effective for both EDC degradation and WAS solubilization. Under their optimal conditions, the EDC degradation rate constants during UV/H 2 O 2 oxidation were 45–197 times greater than those during UV irradiation and 11–53 times greater than those during H 2 O 2 oxidation. High dosage of H 2 O 2 and low pH were favorable for the degradation of EDCs. Under the conditions of pH = 3, UV wavelength = 253.7 nm, UV fluence rate = 0.069 mW cm −2 , and H 2 O 2 dosage = 0.5 mol L −1 , the removal efficiencies of E1, E2, EE2, E3, BPA, and NP in 2 min were 97%, 92%, 95%, 94%, 89%, and 67%, respectively. The hydroxyl radical (·OH) was proved to take the most important role for the removal of EDCs. Metal ions in sludge could facilitate the removal of EDCs during UV/H 2 O 2 oxidation. Fe, Ag, and Cu ions had more obvious effects compared with other metal ions. The overall role of HA was dependent on the balance between its competition as organics and its catalysis/photosensitization effects. These indicate that the sludge matrix plays an important role in the degradation of EDCs. - Highlights:

  16. Photoemission Studies of Si Quantum Dots with Ge Core: Dots formation, Intermixing at Si-clad/Ge-core interface and Quantum Confinement Effect

    OpenAIRE

    Yudi Darma

    2008-01-01

    Spherical Si nanocrystallites with Ge core (~20nm in average dot diameter) have been prepared by controlling selective growth conditions of low-pressure chemical vapor deposition (LPCVD) on ultrathin SiO2 using alternately pure SiH4 and 5% GeH4 diluted with He. XPS results confirm the highly selective growth of Ge on the pregrown Si dots and subsequently complete coverage by Si selective growth on Ge/Si dots. Compositional mixing and the crystallinity of Si dots with Ge core as a function of ...

  17. Insight into the local magnetic environments and deuteron mobility in jarosite (AFe3(SO4)2(OD)6, A = K, Na, D3O) and hydronium alunite ((D3O)Al3(SO4)2(OD,OD2)6), from variable temperature 2H MAS NMR spectroscopy

    DEFF Research Database (Denmark)

    Nielsen, Ulla Gro; Heinmaa, Ivo; Samoson, Ago

    2011-01-01

    to the different temperature dependence of their isotropic shifts. An activation energy of 6.3(4) kJ/mol is determined for the D3O+ motion in the isostructural compound D3OAl3(SO4)2(OD)6. Our NMR results support theories that ascribes the spin glass behavior of (H3O)Fe3(SO4)2(OD)6 is to disorder of the D3O+ ion...... and/or a less distorted Fe coordination environment. No sign of proton transfer reactions from the D3O+ ion to the framework is observed....

  18. Adsorption heats of olefins on supported MoO3/Al2O3 catalists

    International Nuclear Information System (INIS)

    Grinev, V.E.; Madden, M.; Khalit, V.A.; Aptekar', E.L.; Aldag, A.; Krylov, O.V.

    1983-01-01

    Adsorption heats of C 2 H 4 , C 3 H 6 and C 4 H 8 on supported MoO 3 /Al 2 O 3 catalysts containing 6, 10 and 15 wt. % of MoO 3 at 25, 77 and 195 deg are determimed. Adsorption heat of an olefin increases with a growing length of its carbonic chain. The number of adsorbed olefin molecules grows with an increase in the MoO 3 concentration, while initial adsorption heats decrease. The number of adsorbed olefins is proportional to mean rate of molybdenum reduction in catalysts. Adsorption heats of oxygen on the surface of the catalysts with preliminarily adsorbed olefins are determined. It is shown that adsorption of oxygen and olefins proceeeds both on the same and on different centres of the surface. Mechanisms of surface interactions are discussed

  19. Preparation of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8-x} tracks and thick films by jet printing

    Energy Technology Data Exchange (ETDEWEB)

    Glowacki, B A [IRC in Superconductivity, University of Cambridge, Madingley Road, Cambridge CB3 OHE (United Kingdom); Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge CB2 3QZ (United Kingdom). E-mail: bag10 at cus.cam.ac.uk

    2000-05-01

    The formation of the 2212 phase material on both silver and magnesium oxide (100) substrates was successfully achieved by the dropwise deposition of solutions of 2212 dissolved in nitric acid or organic acids such as acetic acid or propionic acid using commercial ink-jet printing head using so-called technique 'droplet-on-request'. Precursor solutions were prepared by dissolving either a mixture of metal nitrates (Bi(NO{sub 3}){sub 3}{center_dot}5H{sub 2}O, Sr(NO{sub 3}){sub 2}, Ca(NO{sub 3}){sub 2}{center_dot}4H{sub 2}O and Cu(NO{sub 3}){sub 2}{center_dot}3H{sub 2}O) or 2212 superconducting powder in acid solutions. From this initial study using simple solutions on conventional substrates such as polycrystalline silver and large MgO single crystals, the preparation of the textured thick 2212 film for superconducting circuits and interconnections by the ink-jet printing process appears quite promising. The critical temperatures of the selected superconducting coatings were in range of 82-92 K. (author)

  20. Structure-guided mutational analysis reveals the functional requirements for product specificity of DOT1 enzymes.

    Science.gov (United States)

    Dindar, Gülcin; Anger, Andreas M; Mehlhorn, Christine; Hake, Sandra B; Janzen, Christian J

    2014-11-12

    DOT1 enzymes are conserved methyltransferases that catalyse the methylation of lysine 79 on histone H3 (H3K79). Most eukaryotes contain one DOT1 enzyme, whereas African trypanosomes have two homologues, DOT1A and DOT1B, with different enzymatic activities. DOT1A mediates mono- and dimethylation of H3K76, the homologue of H3K79 in other organisms, whereas DOT1B additionally catalyses H3K76 trimethylation. However, it is unclear how these different enzymatic activities are achieved. Here we employ a trypanosomal nucleosome reconstitution system and structure-guided homology modelling to identify critical residues within and outside the catalytic centre that modulate product specificity. Exchange of these residues transfers the product specificity from one enzyme to the other, and reveals the existence of distinct regulatory domains adjacent to the catalytic centre. Our study provides the first evidence that a few crucial residues in DOT1 enzymes are sufficient to catalyse methyl-state-specific reactions. These results might also have far-reaching consequences for the functional understanding of homologous enzymes in higher eukaryotes.

  1. I + (H2O)2 → HI + (H2O)OH Forward and Reverse Reactions. CCSD(T) Studies Including Spin-Orbit Coupling.

    Science.gov (United States)

    Wang, Hui; Li, Guoliang; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F

    2016-03-03

    The potential energy profile for the atomic iodine plus water dimer reaction I + (H2O)2 → HI + (H2O)OH has been explored using the "Gold Standard" CCSD(T) method with quadruple-ζ correlation-consistent basis sets. The corresponding information for the reverse reaction HI + (H2O)OH → I + (H2O)2 is also derived. Both zero-point vibrational energies (ZPVEs) and spin-orbit (SO) coupling are considered, and these notably alter the classical energetics. On the basis of the CCSD(T)/cc-pVQZ-PP results, including ZPVE and SO coupling, the forward reaction is found to be endothermic by 47.4 kcal/mol, implying a significant exothermicity for the reverse reaction. The entrance complex I···(H2O)2 is bound by 1.8 kcal/mol, and this dissociation energy is significantly affected by SO coupling. The reaction barrier lies 45.1 kcal/mol higher than the reactants. The exit complex HI···(H2O)OH is bound by 3.0 kcal/mol relative to the asymptotic limit. At every level of theory, the reverse reaction HI + (H2O)OH → I + (H2O)2 proceeds without a barrier. Compared with the analogous water monomer reaction I + H2O → HI + OH, the additional water molecule reduces the relative energies of the entrance stationary point, transition state, and exit complex by 3-5 kcal/mol. The I + (H2O)2 reaction is related to the valence isoelectronic bromine and chlorine reactions but is distinctly different from the F + (H2O)2 system.

  2. Synthesis and characterization of polymer eight-coordinate (enH 2)[Y III(pdta)(H 2O)] 2·10H 2O as well as the interaction of [Y III(pdta)(H 2O)] 22- with BSA

    Science.gov (United States)

    Liu, Bin; Wang, Jun; Wang, Xin; Liu, Bing-Mi; He, Ling-Ling; Xu, Shu-Kun

    2010-12-01

    The eight-coordinate (enH 2)[Y III(pdta)(H 2O)] 2·10H 2O (en = ethylenediamine and H 4pdta = 1,3-propylenediamine- N, N, N', N'-tetraacetic acid) was synthesized, meanwhile its molecular and crystal structures were determined by single-crystal X-ray diffraction technology. The interaction between [Y III(pdta)(H 2O)] 22- and bovine serum albumin (BSA) was investigated by UV-vis and fluorescence spectra. The results indicate that [Y III(pdta)(H 2O)] 22- quenched effectively the intrinsic fluorescence of BSA via a static quenching process with the binding constant ( Ka) of the order of 10 4. Meanwhile, the binding and damaging sites to BSA molecules were also estimated by synchronous fluorescence. Results indicate that the hydrophobic environments around Trp and Tyr residues were all slightly changed. The thermodynamic parameters (Δ G = -25.20 kJ mol -1, Δ H = -26.57 kJ mol -1 and Δ S = -4.58 J mol -1 K -1) showed that the reaction was spontaneous and exothermic. What is more, both Δ H and Δ S were negative values indicated that hydrogen bond and Van der Waals forces were the predominant intermolecular forces between [Y III(pdta)(H 2O)] 22- and BSA.

  3. A two-dimensional yttrium phthalate coordination polymer, [Y4(H2O ...

    Indian Academy of Sciences (India)

    Unknown

    polymer, [Y4(H2O)2(C8H4O4)6]∞, I. The Y ions in I are present in four different ... Co etc., the analogous lanthanide ions are also being investigated.2–10 The .... O(18). –237(3). –913(3). 7101(2). 37(1). O(19). –3693(3). –1348(3). 10459(3).

  4. Fabrication of transparent TiO2 nanotube-based photoanodes for CdS/CdTe quantum co-sensitized solar cells

    Science.gov (United States)

    Gualdrón-Reyes, A. F.; Cárdenas-Arenas, A.; Martínez, C. A.; Kouznetsov, V. V.; Meléndez, A. M.

    2017-01-01

    In order to fabricate a solar cell, ordered TiO2 nanotube (TNT) arrays were prepared by double anodization. TNT arrays with variable lengths were obtained by changing the duration of the anodizing process of up to 3h. TNT membranes were transferred to indium tin oxide substrates and attached with a B-TiO2 sol. TNT photoanode with the best photoelectrochemical performance was sensitized with CdS by SILAR method. On other hand, CdTe quantum dots prepared via colloidal synthesis were deposited on TNT photoanodes for 2h, 4h and 6h. In addition, TNT/CdS was loaded with CdTe quantum dots for 4 h. Morphology and chemical modification of TiO2 were characterized by FESEM and XPS, while their photoelectrochemical performance was measured by open-circuit photopotential and photovoltammetry under visible light. TiO2 nanotubes grown during 2.5h showed the highest photocurrent due to presence of Ti3+ donor states by N and F co-doping, increasing the number of photogenerated electrons transported to back collector. TNT/CdS/CdTe photoanode reach the highest conversion efficiency under AM 1.5G simulated solar illumination.

  5. (E-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylideneethyl]-2H-pyran-2-one

    Directory of Open Access Journals (Sweden)

    Samra Rahmouni

    2016-05-01

    Full Text Available The title compound, C14H14N2O3, crystallized with three crystallographically independent molecules (A, B and C in the asymmetric unit. The three molecules each have an E conformation about the C=N bond but differ in the orientation of the phenyl and pyran rings. The dihedral angles between the phenyl and pyran ring planes are 14.30 (1, 28.38 (1 and 25.58 (1° in molecules A, B and C, respectively. There is an intramolecular O—H...N hydrogen bond in each molecule with an S(6 ring motif. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming layers parallel to (001, enclosing R22(8 and R33(21 ring motifs. The layers are linked via C—H...π interactions, forming bilayers, which are joined by a further C—H...π interaction, forming a three-dimensional structure.

  6. Tungsten phosphanylarylthiolato complexes [W{PhP(2-SC6H4)2-kappa3S,S',P} 2] and [W{P(2-SC6H4)3-kappa4S,S',S",P}2]: synthesis, structures and redox chemistry.

    Science.gov (United States)

    Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminita; Hey-Hawkins, Evamarie

    2008-09-14

    PhP(2-SHC6H4)2 (PS2H2) reacts with WCl6 with reduction of tungsten to give the air-sensitive tungsten(IV) complex [W{PhP(2-SC6H4)2-kappa(3)S,S',P}2] (1). 1 is oxidised in air to [WO{PhPO(2-SC6H4)2-kappa(3)S,S',O}{PhP(2-SC6H4)2-kappa(3)S,S',P}] (2). The attempted synthesis of 2 by reaction of 1 with iodosobenzene as oxidising agent was unsuccessful. [W{P(2-SC6H4)3-kappa(4)S,S',S",P}2] (3) was formed in the reaction of P(2-SHC6H4)3 (PS3H3) with WCl6. The W(VI) complex 3 contains two PS3(3-) ligands, each coordinated in a tetradentate fashion resulting in a tungsten coordination number of eight. The reaction of 3 with AgBF4 yields the dinuclear tungsten complex [W2{P(2-SC6H4)3-kappa(4)S,S',S",P}3]BF4 (4). Complexes 1-4 were characterised by spectral methods and X-ray structure determination.

  7. Synthesis, structural approach and electronic properties of V{sub 18}O{sub 45}, (N{sub 2}C{sub 6}H{sub 14}){sub 6}: a new organically templated vanadium oxide exhibiting V{sub 2}O{sub 5} layer topology

    Energy Technology Data Exchange (ETDEWEB)

    Sicard, M.; Maignan, A. [Laboratoire Crismat-ISMRa UMR 6508, 14 - Caen (France); Riou, D. [Universite de Versailles St Quentin, Institut Lavoisier UMR CNRS 8637, 78 - Versailles (France)

    2002-02-01

    V{sub 18}O{sub 45}, (N{sub 2}C{sub 6}H{sub 14}){sub 6} was hydrothermally synthesized in the form of thin platelets. Its structural approach was investigated by single crystal X-ray diffraction (non-centrosymmetric P2{sub 1} (No 4) monoclinic space group with a 10.7713(3) Angstrom, b = 11.2697(3) Angstrom, c = 29.7630(9) Angstrom, {beta} = 93.924(1) deg., V = 3604.4(2) Angstrom{sup 3}, Z = 2). V{sub 18}O{sub 45}, (N{sub 2}C{sub 6}H{sub 14}){sub 6} exhibits a lamellar structure built up from the stacking of vanadium oxide slabs between which the di-protonated 1,4-di-aza-bi-cyclo[2.2.2]octane organic cations are intercalated. The oxide layers are topologically similar to those encountered in the parent vanadium penta-oxide V{sub 2}O{sub 5} but exhibiting here a mixed valence V{sup IV}/V{sup V} with a ratio equal to 2. The electronic conductivity measurements performed on the crystals show that the resistivity curves are described by an Arrhenius law with an activation energy of 0.16 eV. (authors)

  8. High quantum yield graphene quantum dots decorated TiO_2 nanotubes for enhancing photocatalytic activity

    International Nuclear Information System (INIS)

    Qu, Ailan; Xie, Haolong; Xu, Xinmei; Zhang, Yangyu; Wen, Shengwu; Cui, Yifan

    2016-01-01

    Highlights: • High concentration yellow GQDs and TiO_2 nanotubes were achieved by a simple and green method. • High quantum yield GQDs enhanced the photodegradation capacity of TiO_2 nanotube. • The catalytic performance of GQDs/TiO_2 depends on the GQDs loading. • The improved photocatalytic activity of GQDs/TiO_2 was attributed to three aspects. - Abstract: Graphene quantum dots (GQDs) with high quantum yield (about 23.6% at an excitation wavelength of 320 nm) and GQDs/TiO_2 nanotubes (GQDs/TiO_2 NTs) composites were achieved by a simple hydrothermal method at low temperature. Photoluminescence characterization showed that the GQDs exhibited the down-conversion PL features at excitation from 300 to 420 nm and up-conversion photoluminescence in the range of 600–800 nm. The photocatalytic activity of prepared GQDs/TiO_2 NTs composites on the degradation of methyl orange (MO) was significantly enhanced compared with that of pure TiO_2 nanotubes (TiO_2 NTs). For the composites coupling with 1.5%, 2.5% and 3.5% GQDs, the degradation of MO after 20 min irradiation under UV–vis light irradiation (λ = 380–780 nm) were 80.52%, 94.64% and 51.91%, respectively, which are much higher than that of pure TiO_2 NTs (35.41%). It was inferred from the results of characterization that the improved photocatalytic activity of the GQDs/TiO_2 NTs composites was attributed to the synergetic effect of up-conversion properties of the GQDs, enhanced visible light absorption and efficient separation of photogenerated electron-holes of the GQDs/TiO_2 composite.

  9. Electrocatalytic activity of LaNiO3 toward H2O2 reduction reaction: Minimization of oxygen evolution

    Science.gov (United States)

    Amirfakhri, Seyed Javad; Meunier, Jean-Luc; Berk, Dimitrios

    2014-12-01

    The catalytic activity of LaNiO3 toward H2O2 reduction reaction (HPRR), with a potential application in the cathode side of fuel cells, is studied in alkaline, neutral and acidic solutions by rotating disk electrode. The LaNiO3 particles synthesised by citrate-based sol-gel method have sizes between 30 and 70 nm with an active specific surface area of 1.26 ± 0.05 m2 g-1. LaNiO3 shows high catalytic activity toward HPRR in 0.1 M KOH solution with an exchange current density based on the active surface area (j0A) of (7.4 ± 1) × 10-6 A cm-2 which is noticeably higher than the j0A of N-doped graphene. The analysis of kinetic parameters suggests that the direct reduction of H2O2, H2O2 decomposition, O2 reduction and O2 desorption occur through HPRR on this catalyst. In order to control and minimize oxygen evolution from the electrode surface, the effects of catalyst loading, bulk concentration of H2O2, and using a mixture of LaNiO3 and N-doped graphene are studied. Although the mechanism of HPRR is independent of the aforementioned operating conditions, gas evolution decreases by increasing the catalyst loading, decreasing the bulk concentration of H2O2, and addition of N-doped graphene to LaNiO3.

  10. Monte Carlo analysis of Pu-H2O and UO2-PuO2-H2O critical assemblies with ENDF/B-IV data

    International Nuclear Information System (INIS)

    Hardy, J. Jr.; Ullo, J.J.

    1981-04-01

    A set of critical experiments, comprising thirteen homogeneous Pu-H 2 O assemblies and twelve UO 2 -PuO 2 lattices, was analyzed with ENDF/B-IV data and the RCPO1 Monte Carlo program, which modeled the experiments explicitly. Some major data sensitivities were also evaluated. For the Pu-H 2 O assemblies, calculated K/sub eff/ averaged 1.011. The large (2.7%) scatter of K/sub eff/ values for these assemblies was attributed mostly to uncertainties in physical specifications since no clear trends of K/sub eff/ were evident and data sensitivities were insignificant. The UO 2 -PuO 2 lattices showed just one trend of K/sub eff/, which indicated an overprediction of U238 capture consistent with that observed for uranium-H 2 O experiments. There was however a approx. 1% discrepancy in calculated K/sub eff/ between the two sets of UO 2 -PuO 2 lattices studied

  11. Assembly of [Cu2(COO)4] and [M3(μ3-O)(COO)6] (M = Sc, Fe, Ga, and In) building blocks into porous frameworks towards ultra-high C2H2/CO2 and C2H2/CH4 separation performance.

    Science.gov (United States)

    Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Qu, Peng; Zhai, Quan-Guo

    2018-02-20

    A porous MOF platform (SNNU-65s) formed by creatively combining paddle-wheel-like [Cu 2 (COO) 4 ] and trigonal prismatic [M 3 (μ 3 -O)(COO) 6 ] building blocks was designed herein. The mixed and high-density open metal sites and the OH-functionalized pore surface promote SNNU-65s to exhibit ultra-high C 2 H 2 uptake and separation performance. Impressively, SNNU-65-Cu-Ga stands out for the highest C 2 H 2 /CO 2 (18.7) and C 2 H 2 /CH 4 (120.6) selectivity among all the reported MOFs at room temperature.

  12. VUV photoionization cross sections of HO2, H2O2, and H2CO.

    Science.gov (United States)

    Dodson, Leah G; Shen, Linhan; Savee, John D; Eddingsaas, Nathan C; Welz, Oliver; Taatjes, Craig A; Osborn, David L; Sander, Stanley P; Okumura, Mitchio

    2015-02-26

    The absolute vacuum ultraviolet (VUV) photoionization spectra of the hydroperoxyl radical (HO2), hydrogen peroxide (H2O2), and formaldehyde (H2CO) have been measured from their first ionization thresholds to 12.008 eV. HO2, H2O2, and H2CO were generated from the oxidation of methanol initiated by pulsed-laser-photolysis of Cl2 in a low-pressure slow flow reactor. Reactants, intermediates, and products were detected by time-resolved multiplexed synchrotron photoionization mass spectrometry. Absolute concentrations were obtained from the time-dependent photoion signals by modeling the kinetics of the methanol oxidation chemistry. Photoionization cross sections were determined at several photon energies relative to the cross section of methanol, which was in turn determined relative to that of propene. These measurements were used to place relative photoionization spectra of HO2, H2O2, and H2CO on an absolute scale, resulting in absolute photoionization spectra.

  13. Tris(2,2′-bipyridine-κ2N,N′cobalt(III bis[bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6cobaltate(III] perchlorate dimethylformamide hemisolvate 1.3-hydrate

    Directory of Open Access Journals (Sweden)

    Irina A. Golenya

    2012-10-01

    Full Text Available In the title compound, [Co(C10H8N23][Co(C7H3NO42]2(ClO4·0.5C3H7NO·1.3H2O, the CoIII atom in the complex cation is pseudooctahedrally coordinated by six N atoms of three chelating bipyridine ligands. The CoIII atom in the complex anion is coordinated by two pyridine N atoms and four carboxylate O atoms of two doubly deprotonated pyridine-2,6-dicarboxylate ligands in a distorted octahedral geometry. One dimethylformamide solvent molecule and two water molecules are half-occupied and one water molecule is 0.3-occupied. O—H...O hydrogen bonds link the water molecules, the perchlorate anions and the complex anions. π–π interactions between the pyridine rings of the complex anions are also observed [centroid–centroid distance = 3.804 (3 Å].

  14. Diaquabis[2,6-bis(4H-1,2,4-triazol-4-ylpyridine-κN2]bis(selenocyanato-κNcobalt(II

    Directory of Open Access Journals (Sweden)

    Yuan-Yuan Liu

    2012-08-01

    Full Text Available In the title compound, [Co(NCSe2(C9H7N72(H2O2], the Co2+ cation is coordinated by two selenocyanate anions, two 2,6-bis(4H-1,2,4-triazol-4-ylpyridine ligands and two water molecules within a slightly distorted N4O2 octahedron. The asymmetric unit consists of one Co2+ cation, which is located on a center of inversion, as well as one selenocyanate anion, one 2,6-bis(4H-1,2,4-triazol-4-ylpyridine ligand and one water molecule in general positions. Intermolecular O—H...N hydrogen bonds join the complex molecules into layers parallel to the bc plane. The layers are linked by C—H...N and C—H...Se hydrogen bonds into a three-dimensional supramolecular architecture.

  15. Thermodynamic studies of thorium phosphate diphosphate and phase investigations of Th-P-O and Th-P-H2O systems

    International Nuclear Information System (INIS)

    Rawat, Deepak; Dash, Smruti; Joshi, A.R.

    2014-01-01

    Highlights: • Δ f H m o (298.15K)andC p,m o (T) of Th 2 P 3 O 13 H 3 (cr), Th 2 P 3 O 12 H(cr), α-Th 4 P 6 O 23 (cr) and β-Th 4 P 6 O 23 (cr) were measured. • Thermo-chemical reaction scheme was formulated to calculate the standard molar enthalpy of formation of β-Th 4 (PO 4 ) 4 P 2 O 7 (cr). • The thermodynamic functions of the compounds present in Th-P-O and Th-P-H 2 O systems have been estimated. • The Gibbs phase diagram and predominant area diagrams for Th-P-O system have been calculated. • E H –pH diagram of Th-P-H 2 O system has been computed to determine stability of β-Th 4 P 6 O 23 (cr) in the ground water. - Abstract: The standard molar enthalpy of formation of thorium phosphate diphosphate, β-Th 4 (PO 4 ) 4 P 2 O 7 (cr) has been determined using an isoperibol solution calorimeter, a differential scanning calorimeter and phase transition data of high temperature calorimeter. The enthalpy of precipitation of thorium phosphate-hydrogenphosphate hydrate, Th 2 (PO 4 ) 2 (HPO 4 )·H 2 O(cr), was measured at 298.15 K using an isoperibol solution calorimeter. Heat capacities of α-Th 4 (PO 4 ) 4 P 2 O 7 (cr) and β-Th 4 (PO 4 ) 4 P 2 O 7 (cr) were measured using a Differential Scanning Calorimeter. Combining these experimental data, and other auxiliary data from the literature, thermo-chemical reaction scheme was devised to calculate the standard molar enthalpy of formation of β-Th 4 (PO 4 ) 4 P 2 O 7 (cr) to be {−10565.5 ± 13.6} kJ mol −1 . The thermodynamic functions for β-Th 4 (PO 4 ) 4 P 2 O 7 (cr) have been computed using Δ f H m o (298.15K),C p,m o (T) and literature data. The Gibbs phase diagram and predominant area diagrams for Th-P-O system have been computed using the thermodynamic information of the various phase present in Th-P, P-O and ThO 2 -P 2 O 5 systems. E H –pH diagram of Th-P-H 2 O system has been computed to determine stability of Th 4 P 6 O 23 (cr) in ground water

  16. X-ray-induced dissociation of H.sub.2O and formation of an O.sub.2-H.sub.2 alloy at high pressure

    Science.gov (United States)

    Mao, Ho-kwang [Washington, DC; Mao, Wendy L [Washington, DC

    2011-11-29

    A novel molecular alloy of O.sub.2 and H.sub.2 and a method of producing such a molecular alloy are provided. When subjected to high pressure and extensive x-radiation, H.sub.2O molecules cleaved, forming O--O and H--H bonds. In the method of the present invention, the O and H framework in ice VII was converted into a molecular alloy of O.sub.2 and H.sub.2. X-ray diffraction, x-ray Raman scattering, and optical Raman spectroscopy demonstrate that this crystalline solid differs from previously known phases.

  17. 4-Hydroxy-6-methyl-3-[3-(thiophen-2-ylacryloyl]-2H-pyran-2-one

    Directory of Open Access Journals (Sweden)

    Salima Thabti

    2013-04-01

    Full Text Available The title compound, C13H10O4S, crystallizes with two molecules in the asymmetric unit in which the rings make dihedral angles of 3.9 (1 and 6.0 (1°; this planarity is due in part to the presence of an intramolecular O—H...O hydrogen bond, which generates an S(6 ring in each molecule. Both molecules represent E isomers with respect to the central C=C bond. In the crystal, molecules are linked by C—H...O interactions into a three-dimensional network.

  18. Lithium recovery from salt lake brine by H2TiO3.

    Science.gov (United States)

    Chitrakar, Ramesh; Makita, Yoji; Ooi, Kenta; Sonoda, Akinari

    2014-06-21

    The details of the ion exchange properties of layered H2TiO3, derived from the layered Li2TiO3 precursor upon treatment with HCl solution, with lithium ions in the salt lake brine (collected from Salar de Uyuni, Bolivia) are reported. The lithium adsorption rate is slow, requiring 1 d to attain equilibrium at room temperature. The adsorption of lithium ions by H2TiO3 follows the Langmuir model with an adsorptive capacity of 32.6 mg g(-1) (4.7 mmol g(-1)) at pH 6.5 from the brine containing NaHCO3 (NaHCO3 added to control the pH). The total amount of sodium, potassium, magnesium and calcium adsorbed from the brine was lithium ions from the brine containing competitive cations such as sodium, potassium, magnesium and calcium in extremely large excess. The results indicate that the selectivity order Li(+) ≫ Na(+), K(+), Mg(2+), Ca(2+) originates from a size effect. The H2TiO3 can be regenerated and reused for lithium exchange in the brine with an exchange capacity very similar to the original H2TiO3.

  19. Crystal structure of [bis(2,6-diisopropylphenyl phosphato-κO]tris(methanol-κOlithium methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Mikhail E. Minyaev

    2015-05-01

    Full Text Available Crystals of the title compound, [Li{OOP(O-2,6-iPr2C6H32}(CH3OH3]·CH3OH or [Li(C24H34O4P(CH3OH3]·CH3OH, have been formed in the reaction between HOOP(O-2,6-iPr2C6H32 and LiOH in methanol. The title compound is of interest as it represents the first reported crystal structure of the family of lithium phosphate diesters. The {Li(CH3OH3[O2P(O-iPr2C6H32]} unit displays the Li atom in a slightly distorted tetrahedral coordination environment and exhibits one intramolecular O—H...O hydrogen bond between a coordinating methanol molecule and the terminal non-coordinating O atom of the phosphate group. The unit is connected with two non-coordinating methanol molecules through two intermolecular O—H...O hydrogen bonds, and with a neighbouring unit through two other O—H...O interactions. These intermolecular hydrogen bonds lead to the formation of infinite chains along [100]. There are no significant interactions between the chains.

  20. Thermal decomposition of [Co(en)3][Fe(CN)6]∙ 2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation.

    Science.gov (United States)

    Trávníček, Zdeněk; Zbořil, Radek; Matiková-Maľarová, Miroslava; Drahoš, Bohuslav; Cernák, Juraj

    2013-01-01

    The Prussian blue analogues represent well-known and extensively studied group of coordination species which has many remarkable applications due to their ion-exchange, electron transfer or magnetic properties. Among them, Co-Fe Prussian blue analogues have been extensively studied due to the photoinduced magnetization. Surprisingly, their suitability as precursors for solid-state synthesis of magnetic nanoparticles is almost unexplored. In this paper, the mechanism of thermal decomposition of [Co(en)3][Fe(CN)6] ∙∙ 2H2O (1a) is elucidated, including the topotactic dehydration, valence and spins exchange mechanisms suggestion and the formation of a mixture of CoFe2O4-Co3O4 (3:1) as final products of thermal degradation. The course of thermal decomposition of 1a in air atmosphere up to 600°C was monitored by TG/DSC techniques, (57)Fe Mössbauer and IR spectroscopy. As first, the topotactic dehydration of 1a to the hemihydrate [Co(en)3][Fe(CN)6] ∙∙ 1/2H2O (1b) occurred with preserving the single-crystal character as was confirmed by the X-ray diffraction analysis. The consequent thermal decomposition proceeded in further four stages including intermediates varying in valence and spin states of both transition metal ions in their structures, i.e. [Fe(II)(en)2(μ-NC)Co(III)(CN)4], Fe(III)(NH2CH2CH3)2(μ-NC)2Co(II)(CN)3] and Fe(III)[Co(II)(CN)5], which were suggested mainly from (57)Fe Mössbauer, IR spectral and elemental analyses data. Thermal decomposition was completed at 400°C when superparamagnetic phases of CoFe2O4 and Co3O4 in the molar ratio of 3:1 were formed. During further temperature increase (450 and 600°C), the ongoing crystallization process gave a new ferromagnetic phase attributed to the CoFe2O4-Co3O4 nanocomposite particles. Their formation was confirmed by XRD and TEM analyses. In-field (5 K / 5 T) Mössbauer spectrum revealed canting of Fe(III) spin in almost fully inverse spinel structure of CoFe2O4. It has been found that the thermal

  1. Effect of pH values on surface modification and solubility of phosphate bioglass-ceramics in the CaO-P 2O 5-Na 2O-SrO-ZnO system

    Science.gov (United States)

    Li, Xudong; Cai, Shu; Zhang, Wenjuang; Xu, Guohua; Zhou, Wei

    2009-08-01

    The bioactive glass-ceramics in the CaO-P 2O 5-Na 2O-SrO-ZnO system were synthesized by the sol-gel technique, and then chemically treated at different pH values to study the solubility and surface modification. Samples sintered at 650 °C for 4 h consisted of the crystalline phase β-Ca 2P 2O 7 and the glass matrix. After soaking in the solution at pH 1.0, the residual glass matrix on the surface appeared entirely dissolved and no new phase could be detected. Whereas at pH 3.0, web-like layer exhibiting peaks corresponding to CaP 2O 6 was formed and covered the entire surface of the sample. When conducted at pH 10.0, only part of the glass matrix was dissolved and a new phase Ca 4P 6O 19 was precipitated, forming the petaline layer. The chemical treatment can easily change the surface morphologies and phase composition of this bioactive glass-ceramics. The higher level of surface roughness resulting from the new-formed layer would improve the interface bonding and benefit for cell adhesion.

  2. Anti-inflammatory drugs. X. Hydrated pyrrolidinium [2-[(2,6-dichlorophenyl)amino]phenyl]acetate(HP.D.H2O).

    Science.gov (United States)

    Castellari, C; Comelli, F; Ottani, S

    2001-10-01

    In the solid-state structure of the title compound, C(4)H(10)N(+).C(14)H(10)Cl(2)NO(2)(-).H(2)O, the asymmetric unit contains one cation, one anion and a water molecule. There is a network of hydrogen bonds which is similar to that found in the hydrated diethylammonium diclofenac salt. A comparison is made of the molecular conformation of the anions in the two related structures.

  3. Effect of various SnO2 pH on ZnO/SnO2-composite film via immersion technique

    Science.gov (United States)

    Malek, M. F.; Mohamed, R.; Mamat, M. H.; Ismail, A. S.; Yusoff, M. M.; Rusop, M.

    2018-05-01

    ZnO/SnO2-composite film has been synthesized via immersion technique with various pH of SnO2. The pH of SnO2 were varied between 4.5 and 6.5. The optical measurements of the samples were carried out using Varian Cary 5000 UV-Vis spectrophotometer within the range from 350 nm to 800 nm at room temperature in air with a data interval of 1 nm. On the other hand, the optical photoluminescence properties were measured by a photoluminescence spectrometer (PL, model: Horiba Jobin Yvon - 79 DU420A-OE-325) using a He-Cd laser as the excitation source at 325 nm. These highly oriented ZnO/SnO2-composite film are potential for the creation of functional materials, such as the sensors, solar cells and etc.

  4. Stability of globular proteins in H2O and D2O

    NARCIS (Netherlands)

    Efimova, Y. M.; Haemers, S.; Wierczinski, B.; Norde, W.; van Well, A. A.

    2007-01-01

    In several experimental techniques D2O rather then H2O is often used as a solvent for proteins. Concerning the influence of the solvent on the stability of the proteins, contradicting results have been reported in literature. In this paper the influence of H2O-D2O solvent substitution on the

  5. Aquachloridobis[5-(2-pyridyl-1H-tetrazolato-κN1]iron(III

    Directory of Open Access Journals (Sweden)

    Bo Wang

    2009-08-01

    Full Text Available The title compound, [Fe(C6H4N52Cl(H2O], was synthesized by hydrothermal reaction of FeCl3 with 2-(1H-tetrazol-5-ylpyridine. The iron(III metal centre exhibits a distorted octahedral coordination geometry provided by four N atoms from two bidentate organic ligands, one water O atom and one chloride anion. The pyridine and tetrazole rings are nearly coplanar [dihedral angles = 4.32 (15 and 5.04 (14°]. In the crystal structure, intermolecular O—H...N hydrogen bonds link the complex molecules into a two-dimensional network parallel to (100.

  6. Effects of pH and H2O2 on ammonia, nitrite, and nitrate transformations during UV254nm irradiation: Implications to nitrogen removal and analysis.

    Science.gov (United States)

    Wang, Junli; Song, Mingrui; Chen, Baiyang; Wang, Lei; Zhu, Rongshu

    2017-10-01

    In order to achieve better removal and analyses of three dissolved inorganic nitrogen (DIN) species via ultraviolet-activated hydrogen peroxide (UV/H 2 O 2 ) process, this study systematically investigated the rates of photo-oxidations of ammonia/ammonium (NH 3 /NH 4 + ) and nitrite (NO 2 - ) as well as the photo-reduction of nitrate (NO 3 - ) at varying pH and H 2 O 2 conditions. The results showed that the mass balances of nitrogen were maintained along irradiation despite of interconversions of DIN species, suggesting that no nitrogen gas (N 2 ) or other nitrogen-containing compound was formed. NH 3 was more reactive than NH 4 + with hydroxyl radical (OH), and by a stepwise H 2 O 2 addition method NH 3 /NH 4 + can be completely converted to NO x - ; NO 2 - underwent rapid oxidation to form NO 3 - when H 2 O 2 was present, suggesting that it is an intermediate compound linking NH 3 /NH 4 + and NO 3 - ; but once H 2 O 2 was depleted, NO 3 - can be gradually photo-reduced back to NO 2 - at high pH conditions. Other than H 2 O 2 , the transformation kinetics of DINs were all dependent on pH, but to varying aspects and extents: the NH 3 photo-oxidation favored a pH of 10.3, which fell within the pK a values of NH 4 + (9.24) and H 2 O 2 (11.6); the NO 3 - photo-reduction increased with increasing pH provided that it exceeds the pK a of peroxynitrous acid (6.8); while the NO 2 - photo-oxidation remained stable unless the pH neared the pK a of H 2 O 2 (11.6). The study thereby demonstrates a picture of the evolutions of DIN species together during UV/H 2 O 2 irradiation process, and for the first time presents a method to achieve complete conversion of NH 4 + to NO 3 - with UV/H 2 O 2 process. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Sustained Submicromolar H2O2 Levels Induce Hepcidin via Signal Transducer and Activator of Transcription 3 (STAT3)*

    Science.gov (United States)

    Millonig, Gunda; Ganzleben, Ingo; Peccerella, Teresa; Casanovas, Guillem; Brodziak-Jarosz, Lidia; Breitkopf-Heinlein, Katja; Dick, Tobias P.; Seitz, Helmut-Karl; Muckenthaler, Martina U.; Mueller, Sebastian

    2012-01-01

    The peptide hormone hepcidin regulates mammalian iron homeostasis by blocking ferroportin-mediated iron export from macrophages and the duodenum. During inflammation, hepcidin is strongly induced by interleukin 6, eventually leading to the anemia of chronic disease. Here we show that hepatoma cells and primary hepatocytes strongly up-regulate hepcidin when exposed to low concentrations of H2O2 (0.3–6 μm), concentrations that are comparable with levels of H2O2 released by inflammatory cells. In contrast, bolus treatment of H2O2 has no effect at low concentrations and even suppresses hepcidin at concentrations of >50 μm. H2O2 treatment synergistically stimulates hepcidin promoter activity in combination with recombinant interleukin-6 or bone morphogenetic protein-6 and in a manner that requires a functional STAT3-responsive element. The H2O2-mediated hepcidin induction requires STAT3 phosphorylation and is effectively blocked by siRNA-mediated STAT3 silencing, overexpression of SOCS3 (suppressor of cytokine signaling 3), and antioxidants such as N-acetylcysteine. Glycoprotein 130 (gp130) is required for H2O2 responsiveness, and Janus kinase 1 (JAK1) is required for adequate basal signaling, whereas Janus kinase 2 (JAK2) is dispensable upstream of STAT3. Importantly, hepcidin levels are also increased by intracellular H2O2 released from the respiratory chain in the presence of rotenone or antimycin A. Our results suggest a novel mechanism of hepcidin regulation by nanomolar levels of sustained H2O2. Thus, similar to cytokines, H2O2 provides an important regulatory link between inflammation and iron metabolism. PMID:22932892

  8. A three-dimensional coordination polymer based on 1,2,3-triazole-4,5-dicarboxylic acid (H{sub 3}tda): ([Cd{sub 12}(tda){sub 8}(H{sub 2}O){sub 11}] · (H{sub 2}O)6.25){sub n}

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Xin-Hui, E-mail: iamxhzhou@njupt.edu.cn; Chen, Qiang [Nanjing University of Posts and Telecommunications, Key Laboratory for Organic Electronics and Information Displays and Institute of Advanced Materials, National Jiangsu Syngerstic Innovation Center for Advanced Materials (SICAM) (China)

    2017-03-15

    The title coordination polymer ([Cd{sub 12}(tda){sub 8}(H{sub 2}O){sub 11}] · (H{sub 2}O){sub 6.25}){sub n} (H{sub 3}tda = 1,2,3-triazole-4,5-dicarboxylic acid), has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. Complex crystallizes in orthorhombic sp. gr. Pmn2{sub 1} with Z = 4. The Cd{sub 2} unit doublebridged by one carboxylate oxygen atom and two neighboring nitrogen atoms from the tda{sup 3–} ligands are linked by the tda{sup 3–}ligands to lead to the 2D (4,4) network in the ac plane. The almost coplanar Cd{sub 2}(μ{sub 5}-tda){sub 2} unit comprised of two Cd ions double-bridged by two tda{sup 3–} ligands through the neighboring nitrogen atoms is connected with the other four Cd{sub 2}(μ{sub 5}-tda){sub 2} units form the undulating 2D network in the ac plane. The (4,4) networks and undulating 2D networks are alternatively connected along the b axis by the tda{sup 3–} ligands coordinating to the Cd ions to form the 3D framework.

  9. Electronic structures and properties of the rhenium alkoxy derivatives Re2O3(OMe)6, Re4O6(OMe)12, and ReMoO2(OMe)7

    International Nuclear Information System (INIS)

    Ermakov, A.I.; Belousov, V.V.; Drobot, D.V.; Shcheglov, P.A.

    2006-01-01

    The geometrical structures, charge distributions, dipole moments, frequencies of normal vibrations, NMR spectra, and total energies of the chemical bonds for the rhenium alkoxy derivatives Re 2 O 3 (OMe) 6 , Re 4 O 6 (OMe) 12 , and ReMoO 2 (OMe) 7 were calculated by the DFT-B3LYP and Hartree-Fock ab initio methods based on the effective core potential theory (LANL2DZ approximation) and the semiempirical PM3(tm) method. Two optimized structures of Re 2 O 3 (OMe) 6 with close energies were found to substantially differ in geometry, 1 H, 13 C, and 17 O NMR spectra, and dipole moment. Various characteristics of the electronic structures and the trans-effect of the ligands in the compounds under consideration were discussed [ru

  10. The rates and mechanisms of water exchange of actinide aqua ions: A variable temperature 17O NMR study of U(H2O)104+, UF(H2O)93+, and Th(H2O)104+

    International Nuclear Information System (INIS)

    Farkas, I.; Grenthe, I.; Banyai, I.

    2000-01-01

    The rate constants and the activation parameters for the exchange between water solvent and [U(H 2 O) 10 ] 4+ and [UF(H 2 O) 9 ] 3+ , and a lower limit for the rate constant at room temperature for [Th(H 2 O) 10 ] 4+ , were determined by 17 O NMR spectroscopy in the temperature range 255--305 K. The experiments were made at different constant hydrogen ion concentrations, which varied between 0.16 and 0.8 mol kg -1 . The Th(IV) system was investigated using Tb 3+ as a shift reagent. The following kinetic parameters at 25 C were obtained: k ex = (5.4 ± 0.6) 10 6 x -1 , ΔH double dagger = 34 ± 3 kJ mol -1 , ΔS ++ = -16 ± 10 J mol -1 K -1 for U 4+ (aq), k ex = (5.5 ± 0.7) 10 6 x -1 , ΔH d ouble dagger = 34 ± 3 kJ mol -1 , ΔS ++ = 3 ± 15 J mol -1 K -1 for UF 3+ (Iaq), and k ex > 5 10 7 s -1 for Th 4+ (aq), where the uncertainty is given at the 2σ-level. This is the first experimental information on the kinetic parameters for the exchange of water for any M 4+ ion. There is no information on the rates and mechanisms of ligand substitutions involving other mono-dentate ligands, hence the mechanistic interpretation of the data is by necessity provisional. The kinetic data and the known ground-state geometry with a coordination number of 10 ± 1 for the Th(IV) and U(IV) complexes suggest a dissociatively activated interchange mechanism. There is no noticeable effect of coordination of one fluoride or one hydroxide to U(IV) on the water exchange rate. This is unusual, for other metal ions there is a strong labilizing of coordinated water when a second ligand is bonded, e.g., in complexes of aluminum and some d-transition elements. In previous studies of the rates and mechanisms of ligand exchange in uranium (VI) systems the authors found a strong decrease in the lability of coordinated water in some fluoride containing complexes

  11. Application of H2O and UV/H2O2 processes for enhancing the biodegradability of reactive black 5 dye.

    Science.gov (United States)

    Kalpana, S Divya; Kalyanaraman, Chitra; Gandhi, N Nagendra

    2011-07-01

    Leather processing is a traditional activity in India during which many organic and inorganic chemicals are added while part of it is absorbed by the leather, the remaining chemicals are discharged along with the effluent. The effluent contains both easily biodegradable and not easily biodegradable synthetic organics like dyes, syntans. Easily biodegradable organics are removed in the existing biological treatment units whereas synthetic organics present in the wastewater are mostly adsorbed over the microbes. As the tannery effluent contains complex chemicals, it is difficult to ascertain the degradation of specific pollutants. To determine the increase in the biodegradability, one of the complex and synthetic organic chemical like dye used in the tanning operation was selected for Advanced Oxidation Process (AOPs) treatment for cleaving complex organics and its subsequent treatment in aerobic process. In the present study, Reactive Black 5 Dye used in the tanning operation was selected for Hydrogen Peroxide (H2O2) and UV/H2O2 pre-treatment for different operating conditions like pH, contact time and different volume of H2O2. A comparison was made between the untreated, Hydrogen Peroxide (H2O2) and UV/H2O2 treated effluent in order to ascertain the influence of AOP on the improvement of biodegradability of effluent. An increase in the BOD5/COD ratio from 0.21 to 0.435 was achieved in the UV/H2O2 pre-treatment process. This pre-treated effluent was further subjected to aerobic process. Biochemical Oxygen Demand (BOD5) and Chemical Oxygen Demand (COD) removal efficiency of the UV/H2O2 pre-treated dye solution in the aerobic process was found to be 86.39% and 77.82% when compared to 52.43% of BOD5 and 51.55% of COD removal efficiency without any pre-treatment. Hence from these results, to increase the biodegradability of Reactive Black 5 dye pre-treatment methods like H2O2 and UV/H2O2 can be used prior to biological treatment process.

  12. Synthesis and applications of crack-free SiO2 monolith containing CdSe/ZnS quantum dots as passive lighting sources.

    Science.gov (United States)

    Yi, Dong Kee

    2008-09-01

    A reverse microemulsion technique has been used to synthesize quantum dot nanocomposites within a SiO2 surface coating. With this approach, the unique optical properties of the CdSe/ZnS quantum dots were preserved. CdSe/ZnS/SiO2 nanoparticles were homogeneously distributed in a tetramethyl orthosilicate ethanol solution and gelation process was initiated within a 10 min, and was left over night at room temperature and dried fully to achieve a solid SiO, monolith. The resulting monolith was transparent and fluorescent under ultraviolet (UV) lamp. Moreover the monolith produced was crack-free. Further studies on the photo stability of the monolith were performed using a high power UV LED device. Remarkably, quantum dots in the SiO, monolith showed better photo stability compared with those dispersed in a polymer matrix.

  13. Removal of diethyl phthalate from water solution by adsorption, photo-oxidation, ozonation and advanced oxidation process (UV/H2O2, O3/H2O2 and O3/activated carbon)

    International Nuclear Information System (INIS)

    Medellin-Castillo, Nahum A.; Ocampo-Pérez, Raúl; Leyva-Ramos, Roberto; Sanchez-Polo, Manuel; Rivera-Utrilla, José; Méndez-Díaz, José D.

    2013-01-01

    The objective of this work was to compare the effectiveness of conventional technologies (adsorption on activated carbon, AC, and ozonation) and technologies based on advanced oxidation processes, AOPs, (UV/H 2 O 2 , O 3 /AC, O 3 /H 2 O 2 ) to remove phthalates from aqueous solution (ultrapure water, surface water and wastewater). Diethyl phthalate (DEP) was chosen as a model pollutant because of its high water solubility (1080 mg/L at 293 K) and toxicity. The activated carbons showed a high adsorption capacity to adsorb DEP in aqueous solution (up to 858 mg/g), besides the adsorption mechanism of DEP on activated carbon is governed by dispersive interactions between π electrons of its aromatic ring with π electrons of the carbon graphene planes. The photodegration process showed that the pH solution does not significantly affect the degradation kinetics of DEP and the first-order kinetic model satisfactorily fitted the experimental data. It was observed that the rate of decomposition of DEP with the O 3 /H 2 O 2 and O 3 /AC systems is faster than that with only O 3 . The technologies based on AOPs (UV/H 2 O 2 , O 3 /H 2 O 2 , O 3 /AC) significantly improve the degradation of DEP compared to conventional technologies (O 3 , UV). AC adsorption, UV/H 2 O 2 , O 3 /H 2 O 2 , and O 3 /AC showed a high yield to remove DEP; however, the disadvantage of AC adsorption is its much longer time to reach maximum removal. The best system to treat water (ultrapure and natural) polluted with DEP is the O 3 /AC one since it achieved the highest DEP degradation and TOC removal, as well as the lower water toxicity. -- Highlights: ► Activated carbons showed a high adsorption capacity (up to 858 mg/g) to remove DEP. ► The pH solution did not significantly affect the photodegradation kinetics of DEP. ► The O 3 /H 2 O 2 and O 3 /AC systems were more efficient than O 3 to degrade DEP. ► The generation of HO • from O 3 was enhanced by ACs, mainly by those of basic nature. ► O

  14. 6-Hydroxymethyl-4-methoxy-2H-pyran-2-one (Opuntiol

    Directory of Open Access Journals (Sweden)

    Muhammad Athar Abbasi

    2010-01-01

    Full Text Available The title compound, C7H8O4, isolated from Opuntia dillenii Haw (Cactaceae, is almost planar [maximum deviation of 0.027 (2 Å] except for the H atoms of the methylene and methyl groups. The crystal packing is stabilized by C—H...O and O—H...O intermolecular hydrogen bonds, resulting in the formation of a three-dimensional network.

  15. Solar light (hv) and H2O2/hv photo-disinfection of natural alkaline water (pH 8.6) in a compound parabolic collector at different day periods in Sahelian region.

    Science.gov (United States)

    Ndounla, J; Pulgarin, C

    2015-11-01

    The photo-disinfection of natural alkaline surface water (pH 8.6 ± 0.3) for drinking purposes was carried out under solar radiation treatments. The enteric bacteria studied were the wild total coliforms/Escherichia coli (10(4) CFU/ml) and Salmonella spp. (10(4) CFU/ml) naturally present in the water. The photo-disinfection of a 25-l water sample was carried out in a solar compound parabolic collector (CPC) in the absence and in the presence of hydrogen peroxide (H2O2). The addition of H2O2 (10 mg/L) to the sample water was sufficient to enhance the photo-disinfection and ensure an irreversible lethal action on the wild enteric bacteria contents of the sample. The inactivation kinetic of the system was significantly enhanced compared to the one carried out without H2O2 addition. The effect of the solar radiation parameters on the efficiency of the photo-disinfection were assessed. The pH has increased during the treatment in all the photo-disinfection processes (hv and H2O2/hv). The Salmonella spp strain has shown the best effective inactivate time in alkaline water than the one recorded under acidic or near-neutral conditions. The evolution of some physico-chemical parameters of the water (turbidity, NO2(-), NO3(-), NH4(+), HPO4(2-), and bicarbonate (HCO3(-))) was monitored during the treatment. Finally, the possible mechanistic process involved during the enteric bacteria inactivation was suggested.

  16. Application of core–shell-structured CdTe-SiO2 quantum dots synthesized via a facile solution method for improving latent fingerprint detection

    International Nuclear Information System (INIS)

    Gao Feng; Han Jiaxing; Lv Caifeng; Wang Qin; Zhang Jun; Li Qun; Bao Liru; Li Xin

    2012-01-01

    Fingerprint detection is important in criminal investigation. This paper reports a facile powder brushing technique for improving latent fingerprint detection using core–shell-structured CdTe-SiO 2 quantum dots (QDs) as fluorescent labeling marks. Core–shell-structured CdTe-SiO 2 QDs are prepared via a simple solution-based approach using NH 2 NH 2 ·H 2 O as pH adjustor and stabilizer, and their application for improving latent fingerprint detection is explored. The obtained CdTe-SiO 2 QDs show spherical shapes with well-defined core–shell structures encapsulating different amounts of QDs depending on the type of the pH adjustor and stabilizer. Moreover, the fluorescence of CdTe-SiO 2 QDs is largely enhanced by surface modification of the SiO 2 shell. The CdTe-SiO 2 QDs overcome the oxidation problem of pure CdTe QDs in air, thus affording better variability with strong adhesive ability, better resolution, and bright emission colors for practical application in latent fingerprint detection. In comparison with the conventional fluorescence powders, silver powders, and others, the effectiveness of CdTe-SiO 2 QD powders for detection of latent fingerprints present on a large variety of object surfaces is greatly improved. The synthesis method for CdTe-SiO 2 QDs is simple, cheap, and easy for large-scale production, and thus offers many advantages in the practical application of fingerprint detection.

  17. Poisoning of Ni-Based anode for proton conducting SOFC by H2S, CO2, and H2O as fuel contaminants

    Science.gov (United States)

    Sun, Shichen; Awadallah, Osama; Cheng, Zhe

    2018-02-01

    It is well known that conventional solid oxide fuel cells (SOFCs) based on oxide ion conducting electrolyte (e.g., yttria-stabilized zirconia, YSZ) and nickel (Ni) - ceramic cermet anodes are susceptible to poisoning by trace amount of hydrogen sulfide (H2S) while not significantly impacted by the presence of carbon dioxide (CO2) and moisture (H2O) in the fuel stream unless under extreme operating conditions. In comparison, the impacts of H2S, CO2, and H2O on proton-conducting SOFCs remain largely unexplored. This study aims at revealing the poisoning behaviors caused by H2S, CO2, and H2O for proton-conducting SOFCs. Anode-supported proton-conducting SOFCs with BaZe0.1Ce0.7Y0.1Yb0.1O3 (BZCYYb) electrolyte and Ni-BZCYYb anode and La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) cathode as well as Ni-BZCYYb/BZCYYb/Ni-BZCYYb anode symmetrical cells were subjected to low ppm-level H2S or low percentage-level CO2 or H2O in the hydrogen fuel, and the responses in cell electrochemical behaviors were recorded. The results suggest that, contrary to conventional SOFCs that show sulfur poisoning and CO2 and H2O tolerance, such proton-conducting SOFCs with Ni-BZCYYb cermet anode seem to be poisoned by all three types of "contaminants". Beyond that, the implications of the experimental observations on understanding the fundamental mechanism of anode hydrogen electrochemical oxidation reaction in proton conducting SOFCs are also discussed.

  18. 9-(3-Bromo-5-chloro-2-hydroxyphenyl-10-(2-hydroxyethyl-3,6-diphenyl-3,4,9,10-tetrahydroacridine-1,8(2H,5H-dione

    Directory of Open Access Journals (Sweden)

    Mehmet Akkurt

    2014-06-01

    Full Text Available In the title compound, C33H27BrClNO4, the dihydropyridine ring adopts a flattened boat conformation. The molecular conformation is stabilized by an intramolecular O—H...O hydrogen bond, with an S(8 ring motif. In the crystal, O—H...O, C—H...O and C—H...Cl hydrogen bonds, and C—H...π interactions link the molecules, forming a three-dimensional network. In the acridinedione ring system, the two ring C atoms at the 2- and 3-positions, and the C atom at the 6-position and the atoms of the phenyl ring attached to the C atom at the 6-position are disordered over two sets of sites with occupancy ratios of 0.783 (5:0.217 (5 and 0.526 (18:0.474 (18, respectively.

  19. 6-Bromo-1,3-di-2-propynyl-1H-imidazo[4,5-b]pyridin-2(3H-one

    Directory of Open Access Journals (Sweden)

    S. Dahmani

    2010-04-01

    Full Text Available The room-temperature reaction of propargyl bromide and 6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one in dimethylformamide yields the title compound, C12H8BrN3O, which features nitrogen-bound propynyl substituents. The imidazopyridine fused ring is almost planar (r.m.s. deviation = 0.011 Å; the propynyl chains point in opposite directions relative to the fused ring. One acetylenic H atom is hydrogen bonded to the carbonyl O atom of an inversion-related molecule, forming a dimer; adjacent dimers are linked by a second acetylene–pyridine C—H...N interaction, forming a layer motif.

  20. Semiconducting perovskites (2-XC6H4C2H4NH3)2SnI4 (X = F, Cl, Br): steric interaction between the organic and inorganic layers.

    Science.gov (United States)

    Xu, Zhengtao; Mitzi, David B; Dimitrakopoulos, Christos D; Maxcy, Karen R

    2003-03-24

    Two new semiconducting hybrid perovskites based on 2-substituted phenethylammonium cations, (2-XC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) (X = Br, Cl), are characterized and compared with the previously reported X = F compound, with a focus on the steric interaction between the organic and inorganic components. The crystal structure of (2-ClC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) is solved in a disordered subcell [C2/m, a = 33.781(7) A, b = 6.178(1) A, c = 6.190(1) A, beta = 90.42(3)(o), and Z = 2]. The structure is similar to the known (2-FC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) structure with regard to both the conformation of the organic cations and the bonding features of the inorganic sheet. The (2-BrC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) system adopts a fully ordered monoclinic cell [P2(1)/c, a = 18.540(2) A, b = 8.3443(7) A, c = 8.7795(7) A, beta = 93.039(1)(o), and Z = 2]. The organic cation adopts the anti conformation, instead of the gauche conformation observed in the X = F and Cl compounds, apparently because of the need to accommodate the additional volume of the bromo group. The steric effect of the bromo group also impacts the perovskite sheet, causing notable distortions, such as a compressed Sn-I-Sn bond angle (148.7(o), as compared with the average values of 153.3 and 154.8(o) for the fluoro and chloro compounds, respectively). The optical absorption features a substantial blue shift (lowest exciton peak: 557 nm, 2.23 eV) relative to the spectra of the fluoro and chloro compounds (588 and 586 nm, respectively). Also presented are transport properties for thin-film field-effect transistors (TFTs) based on spin-coated films of the two hybrid semiconductors.

  1. Synthesis and study of the triphosphate salt LiSr2P3O10·8H2O

    International Nuclear Information System (INIS)

    Sotnikova-Yuzhik, V.A.; Peslyak, G.V.

    1995-01-01

    Lithium triphosphate interaction with strontium nitrate in aqueous solution at 0.3 mole% concentration and 20 deg C is studied. Formation of crystal hydrate LiSr 2 P 3 O 10 ·8H 2 O and amorphous phase of variable composition Li 2,5-0,5x P 3 O 10 ·6H 2 O (0.20≤x≤0.55) is determined. Data on the stability of binary lithium-strontium triphosphate at storage, sequence of chemical and phase transitions under heating are obtained. 5 refs., 4 figs., 3 tabs

  2. Growth Oscillatory Zoning in Erythrite, Ideally Co3(AsO4)2·8H2O: Structural Variations in Vivianite-Group Minerals

    Energy Technology Data Exchange (ETDEWEB)

    Antao, Sytle M.; Dhaliwal, Inayat

    2017-08-01

    The crystal structure of an oscillatory zoned erythrite sample from Aghbar mine, Bou Azzer, Morocco, was refined using synchrotron high-resolution powder X-ray diffraction (HRPXRD) data, Rietveld refinement, space group C2/m, and Z = 2. The crystal contains two sets of oscillatory zones that appear to have developed during epitaxial growth. The unit-cell parameters obtained are a = 10.24799(3) Å, b = 13.42490(7) Å, c = 4.755885(8) Å, β = 105.1116(3)°, and V = 631.680(4) Å3. The empirical formula for erythrite, obtained with electron-probe micro-analysis (EPMA), is [Co2.78Zn0.11Ni0.07Fe0.04]Σ3.00(AsO4)2·8H2O. Erythrite belongs to the vivianite-type structure that contains M1O2(H2O)4 octahedra and M22O6(H2O)4 octahedral dimers that are linked by TO4 (T5+ = As or P) tetrahedra to form complex layers parallel to the (010) plane. These layers are connected by hydrogen bonds. The average O>[6] = 2.122(1) Å and average 2–O>[6] = 2.088(1) Å. With space group C2/m, there are two solid solutions: M3(AsO4)2·8H2O and M3(PO4)2·8H2O where M2+ = Mg, Fe, Co, Ni, or Zn. In these As- and P-series, using data from this study and from the literature, we find that their structural parameters evolve linearly with V and in a nearly parallel manner despite of the large difference in size between P5+ (0.170 Å) and As5+ (0.355 Å) cations. Average O>[4], O>[6], and 2–O>[6] distances increase linearly with V. The average O> distance is affected by M atoms, whereas the average O> distance is unaffected because it contains shorter and stronger P–O bonds. Although As- and P-series occur naturally, there is no structural reason why similar V-series vivianite-group minerals do not occur naturally or cannot be synthesized.

  3. Preparation of Zr(Mo,W)2O8 with a larger negative thermal expansion by controlling the thermal decomposition of Zr(Mo,W)2(OH,Cl)22H2O.

    Science.gov (United States)

    Petrushina, Mariya Yu; Dedova, Elena S; Filatov, Eugeny Yu; Plyusnin, Pavel E; Korenev, Sergei V; Kulkov, Sergei N; Derevyannikova, Elizaveta A; Sharafutdinov, Marat R; Gubanov, Alexander I

    2018-03-28

    Solid solutions of Zr(Mo,W) 2 O 7 (OH,Cl) 22H 2 O with a preset ratio of components were prepared by a hydrothermal method. The chemical composition of the solutions was determined by energy dispersive X-ray spectroscopy (EDX). For all the samples of ZrMo x W 2-x O 7 (OH,Cl) 22H 2 O (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0, 1.2, 1.4, 1.6, 1.8, and 2.0), TGA and in situ powder X-ray diffraction (PXRD) studies (300-1100 K) were conducted. For each case, the boundaries of the transformations were determined: Zr(Mo,W) 2 O 7 (OH,Cl) 22H 2 O → orthorhombic-ZrMo x W 2-x O 8 (425-525 K), orthorhombic-ZrMo x W 2-x O 8  → cubic-ZrMo x W 2-x O 8 (700-850 K), cubic-ZrMo x W 2-x O 8  → trigonal-ZrMo x W 2-x O 8 (800-1050 K for x > 1) and cubic-ZrMo x W 2-x O 8  → oxides (1000-1075 K for x ≤ 1). The cell parameters of the disordered cubic-ZrMo x W 2-x O 8 (space group Pa-3) were measured within 300-900 K, and the thermal expansion coefficients were calculated: -3.5∙10 -6  - -4.5∙10 -6  K -1 . For the ordered ZrMo 1.8 W 0.2 O 8 (space group P2 1 3), a negative thermal expansion (NTE) coefficient -9.6∙10 -6  K -1 (300-400 K) was calculated. Orthorhombic-ZrW2O 8 is formed upon the decomposition of ZrW 2 O 7 (OH,Cl) 22H 2 O within 500-800 K.

  4. Thermoelectric properties of Ba3Co2O6(CO3)0.7 containing one-dimensional CoO6 octahedral columns

    OpenAIRE

    Iwasaki, Kouta; Yamamoto, Teruhisa; Yamane, Hisanori; Takeda, Takashi; Arai, Shigeo; Miyazaki, Hidetoshi; Tatsumi, Kazuyoshi; Yoshino, Masahito; Ito, Tsuyoshi; Arita, Yuji; Muto, Shunsuke; Nagasaki, Takanori; Matsui, Tsuneo

    2009-01-01

    The thermoelectric properties of Ba3Co2O6(CO3)0.7 have been investigated using prismatic single crystals elongated along the c axis. Ba3Co2O6(CO3)0.7 has a pseudo-one-dimensional structure similar to that of 2H perovskite-type BaCoO3 and contains CoO6 octahedral columns running parallel to the c axis. The prismatic crystals are grown by a flux method using a K2CO3–BaCl2 flux. The electrical conductivity(σ) along the columns (c axis) exhibits a metallic behavior (670–320 S cm−1 in the temperat...

  5. Effects of CO, O2, NO, H2O, and irradiation temperature on the radiation-induced oxidation of SO2

    International Nuclear Information System (INIS)

    Tokunaga, Okihiro; Nishimura, Koichi; Suzuki, Nobutake; Washino, Masamitsu

    1977-01-01

    When a SO 2 -H 2 O-O 2 -N 2 gaseous mixture was irradiated by electron beams of 1.5 MeV, SO 2 was easily oxidized to H 2 SO 4 . Effects of CO, O 2 , NO, H 2 O, and irradiation temperature on the radiation-induced oxidation of SO 2 were studied by measuring the SO 2 concentration gas chromatographically. The G(-SO 2 ) increased greatly at the addition of a small amount of O 2 , and then decreased gradually with an increase in the O 2 concentration, i.e., the G(-SO 2 ) values were 0.9, 8.0, and 5.3 for the 0, 0.1, and 20% O 2 concentrations at 100 0 C, respectively (Fig.4). The G(-SO 2 ) was independent of the H 2 O concentration in the range of 0.84 to 8.4% (Fig.5). The G(-SO 2 ) decreased with a rise in the irradiation temperature (Fig.6) and an apparent activation energy of the oxidation reaction of SO 2 obtained was -4.2 kcal.mol -1 . The effects of CO, NO, and O 2 on the G(-SO 2 ) showed that SO 2 was mainly oxidized by OH and O and that the contribution of OH to the oxidation of SO 2 increased with an increase in the O 2 concentration (Table 1). The rate constants for the reactions of SO 2 with OH and O, obtained from competitive reactions of SO 2 with CO and O 2 , were 5.4 x 10 11 cm 3 .mol -1 .sec -1 and 5.0 x 10 11 cm 3 .mol -1 .sec -1 , respectively. (auth.)

  6. Photoelectrolchemical performance of PbS/CdS quantum dots co-sensitized TiO2 nanosheets array film photoelectrodes

    International Nuclear Information System (INIS)

    Yao, Huizhen; Li, Xue; Liu, Li; Niu, Jiasheng; Ding, Dong; Mu, Yannan; Su, Pengyu; Wang, Guangxia; Fu, Wuyou; Yang, Haibin

    2015-01-01

    Herein, PbS/CdS quantum dots (QDs) co-sensitized titanium dioxide nanosheets array (TiO 2 NSs) films were reported for the first time. The TiO 2 NSs films exposed {001} facets were vertically grown on transparent conductive fluorine-doped tin oxide (FTO) glass substrates by a facile hydrothermal method. The PbS/CdS QDs were assembled on TiO 2 NSs photoelectrode by successive ionic layer adsorption and reaction (SILAR). The X-ray diffraction pattern (XRD) and transmission electron microscopy (TEM) verified that QDs with a diameter less than 20 nm were uniformly anchored on the surface of the TiO 2 NSs films. The QDs co-sensitization can significantly extend the absorption range and increase the absorption property of the photoelectrode by UV–vis absorption spectra. The optimal photoelectrolchemical (PEC) performance of PbS/CdS QDs co-sensitization TiO 2 NSs was with photocurrent density of 6.12 mA cm −2 under an illumination of AM 1.5 G, indicating the TiO 2 NSs films co-sensitized by PbS/CdS QDs have potential applications in solar cells. - Highlights: • TiO 2 nanosheets films were fabricated by a simple hydrothermal. • TiO 2 nanosheets film exposed high energy facets was with gaps. • PbS/CdS co-sensitized TiO 2 nanosheets film was obtained for the first time. • Photocurrent intensity of the novel photoelectrode increased to 6.12 mA cm −2

  7. Solid-state thermal decomposition of the [Co(NH{sub 3}){sub 5}CO{sub 3}]NO{sub 3}{center_dot}0.5H{sub 2}O complex: A simple, rapid and low-temperature synthetic route to Co{sub 3}O{sub 4} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Farhadi, Saeid, E-mail: sfarhad2001@yahoo.com [Department of Chemistry, Lorestan University, Khorramabad 68135-465 (Iran, Islamic Republic of); Safabakhsh, Jalil [Department of Chemistry, Lorestan University, Khorramabad 68135-465 (Iran, Islamic Republic of)

    2012-02-25

    Highlights: Black-Right-Pointing-Pointer [Co(NH{sub 3}){sub 5}CO{sub 3}]NO{sub 3}{center_dot}0.5H{sub 2}O complex was used for preparing pure Co{sub 3}O{sub 4} nanoparticles. Black-Right-Pointing-Pointer Co{sub 3}O{sub 4} nanoparticles were prepared at low temperature of 175 Degree-Sign C. Black-Right-Pointing-Pointer Co{sub 3}O{sub 4} nanoparticles show a weak ferromagnetic behaviour at room temperature. Black-Right-Pointing-Pointer The method is simple, low-cost and suitable for the production of Co{sub 3}O{sub 4}. - Abstract: Co{sub 3}O{sub 4} nanoparticles were easily prepared via the decomposition of the pentammine(carbonato)cobalt(III) nitrate precursor complex [Co(NH{sub 3}){sub 5}CO{sub 3}]NO{sub 3}{center_dot}0.5H{sub 2}O at low temperature (175 Degree-Sign C). The product was characterized by thermal analysis, X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), UV-visible spectroscopy, transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDX), Raman spectroscopy, Brunauer-Emmett-Teller (BET) specific surface area measurements and magnetic measurements. The FT-IR, XRD, Raman and EDX results indicated that the synthesized Co{sub 3}O{sub 4} nanoparticles are highly pure and have a single phase. The TEM analysis revealed nearly uniform and quasi-spherical Co{sub 3}O{sub 4} nanoparticles with an average particle size of approximately 10 nm. The optical absorption spectrum of the Co{sub 3}O{sub 4} nanoparticles showed two direct band gaps of 2.18 and 3.52 eV with a red shift in comparison with previous reported values. The prepared Co{sub 3}O{sub 4} nanoparticles showed a weak ferromagnetic behaviour that could be attributed to uncompensated surface spins and/or finite-size effects. Using the present method, Co{sub 3}O{sub 4} nanoparticles can be produced without expensive organic solvents and complicated equipment. This simple, rapid, safe and low-cost synthetic route can be extended to the synthesis of other

  8. Profiling of cytosolic and mitochondrial H2O2 production using the H2O2-sensitive protein HyPer in LPS-induced microglia cells.

    Science.gov (United States)

    Park, Junghyung; Lee, Seunghoon; Lee, Hyun-Shik; Lee, Sang-Rae; Lee, Dong-Seok

    2017-07-27

    Dysregulation of the production of pro-inflammatory mediators in microglia exacerbates the pathologic process of neurodegenerative disease. ROS actively affect microglia activation by regulating transcription factors that control the expression of pro-inflammatory genes. However, accurate information regarding the function of ROS in different subcellular organelles has not yet been established. Here, we analyzed the pattern of cytosolic and mitochondrial H 2 O 2 formation in LPS-activated BV-2 microglia using the H 2 O 2- sensitive protein HyPer targeted to specific subcellular compartments. Our results show that from an early time, cytosolic H 2 O 2 started increasing constantly, whereas mitochondrial H 2 O 2 rapidly increased later. In addition, we found that MAPK affected cytosolic H 2 O 2 , but not mitochondrial H 2 O 2 . Consequently, our study provides the basic information about subcellular H 2 O 2 generation in activated microglia, and a useful tool for investigating molecular targets that can modulate neuroinflammatory responses. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. ENDOR determination of the proton positions around Gd3+ in La(C2H5SO4)3.9H2O

    International Nuclear Information System (INIS)

    Beer, R. de; Biesboer, F.; Ormondt, D. van

    1976-01-01

    The water proton positions around Gd 3+ in La(C 2 H 5 SO 4 ) 3 .9H 2 O have been determined by means of ENDOR. The positions of the nearest neighbour water oxygens are discussed on the basis of a superposition model analysis of the ratios b 2 0 /A 2 0 2 >, b 6 6 /b 6 0 and mod(A 6 6 )modA 6 0 . (Auth.)

  10. Direct Synthesis of H2O2 over Ti-Containing Molecular Sieves Supported Gold Catalysts: A Comparative Study for In-situ-H2O2-ODS of Fuel

    International Nuclear Information System (INIS)

    Zhang, Han; Song, Haiyan; Chen, Chunxia; Han, Fuqin; Hu, Shaozheng; Liu, Guangliang; Chen, Ping; Zhao, Zhixi

    2013-01-01

    Direct synthesis of H 2 O 2 and in situ oxidative desulfurization of model fuel over Au/Ti-HMS and Au/TS-1 catalysts has been comparatively investigated in water or methanol. Maximum amount (82%) of active Au 0 species for H 2 O 2 synthesis was obtained. Au/Ti-HMS and Au/TS-1 exhibited the contrary performances in H 2 O 2 synthesis as CH 3 OH/H 2 O ratio of solvent changed. H 2 O 2 decomposition and hydrogenation in water was inhibited by the introduction of methanol. Effect of O 2 /H 2 ratio on H 2 O 2 concentration, H 2 conversion and H 2 O 2 selectivity revealed a relationship between H 2 O 2 generation and H2 consumption. The highest dibenzothiophene removal rate (83.2%) was obtained over Au/Ti-HMS in methanol at 1.5 of O 2 /H 2 ratio and 60 .deg. C. But removal of thiophene over Au/TS-1 should be performed in water without heating to obtain a high removal rate (61.3%). Meanwhile, H 2 conversion and oxidative desulfurization selectivity of H 2 were presented

  11. Tris(dibenzoylmethanido-κ2O,O′[(6S,8S-(+-7,7-dimethyl-3-(2-pyridyl-5,6,7,8-tetrahydro-6,8-methanoisoquinoline-κ2N,N′]gadolinium(III

    Directory of Open Access Journals (Sweden)

    Xi-Li Li

    2009-09-01

    Full Text Available In the title compound, [Gd(C15H11O23(C17H18N2], the GdIII atom is coordinated by six O atoms from three β-diketonate ligands and two N atoms from a chiral ligand LS,S-(+-7,7-dimethyl-3-(2-pyridyl-5,6,7,8-tetrahydro-6,8-methanoisoquinoline, in a coordination geometry best described as distorted square-antiprismatic.

  12. Synthesis, single-crystal structure determination and Raman spectra of the tricyanomelaminates NaA{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O (A = Rb, Cs)

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.; Schulz, Armin [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    2016-07-01

    Transparent colorless crystals of NaA{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O (A = Rb, Cs) were obtained by blending aqueous solutions of Na{sub 3}[C{sub 6}N{sub 9}] and RbF or CsF, respectively, and subsequent evaporation of the water under ambient conditions. Both compounds crystallize in the space group P2{sub 1}/m (no. 11) with the cell parameters a = 815.56(16), b = 1637.7(4) and c = 1036.4(3) pm, and β = 110.738(12) for NaRb{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O and a = 843.32(6), b = 1708.47(11) and c = 1052.42(7) pm, and β = 112.034(2) for NaCs{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O, respectively. Raman spectra of the title compounds complement our results.

  13. The topotactic dehydration of monoclinic {[Co(pht)(bpy)(H2O)22H2O}n into orthorhombic [Co(pht)(bpy)(H2O)2]n (pht is phthalate and bpy is 4,4'-bipyridine).

    Science.gov (United States)

    Harvey, Miguel Angel; Suarez, Sebastián; Cukiernik, Fabio D; Baggio, Ricardo

    2014-10-01

    Controlled heating of single crystals of the previously reported [Köferstein & Robl (2007). Z. Anorg. Allg. Chem. 633, 1127-1130] dihydrate {[Co(pht)(bpy)(H2O)22H2O}n, (II) [where pht is phthalate (C8H4O4) and bpy is 4,4'-bipyridine (C10H8N2)], produced a topotactic transformation into an unreported diaqua anhydrate, namely poly[diaqua(μ2-benzene-1,2-dicarboxylato-κ(2)O(1):O(2))(μ2-4,4'-bipyridine-κ(2)N:N')cobalt(II)], [Co(C8H4O4)(C10H8N2)(H2O)2]n, (IIa). The structural change consists of the loss of the two solvent water molecules linking the original two-dimensional covalent substructures which are the `main frame' of the monoclinic P2/n hydrate (strictly preserved during the transformation), with further reaccommodation of the latter. The anhydrate organizes itself in the orthorhombic system (space group Pmn2(1)) in a disordered fashion, where the space-group-symmetry restrictions are achieved only in a statistical sense, with mirror-related two-dimensional planar substructures, mirrored in a plane perpendicular to [100]. Thus, the asymmetric unit in the refined model is composed of two superimposed mirror-related `ghosts' of half-occupancy each. Similarities and differences with the parent dihydrate and some other related structures in the literature are discussed.

  14. Improving the Power Conversion Efficiency of Carbon Quantum Dot-Sensitized Solar Cells by Growing the Dots on a TiO2 Photoanode In Situ

    Directory of Open Access Journals (Sweden)

    Quanxin Zhang

    2017-05-01

    Full Text Available Dye-sensitized solar cells (DSSCs are highly promising since they can potentially solve global energy issues. The development of new photosensitizers is the key to fully realizing perspectives proposed to DSSCs. Being cheap and nontoxic, carbon quantum dots (CQDs have emerged as attractive candidates for this purpose. However, current methodologies to build up CQD-sensitized solar cells (CQDSCs result in an imperfect apparatus with extremely low power conversion efficiencies (PCEs. Herein, we present a simple strategy of growing carbon quantum dots (CQDs onto TiO2 surfaces in situ. The CQDs/TiO2 hybridized photoanode was then used to construct solar cell with an improved PCE of 0.87%, which is higher than all of the reported CQDSCs adopting the simple post-adsorption method. This result indicates that an in situ growing strategy has great advantages in terms of optimizing the performance of CQDSCs. In addition, we have also found that the mechanisms dominating the performance of CQDSCs are different from those behind the solar cells using inorganic semiconductor quantum dots (ISQDs as the photosensitizers, which re-confirms the conclusion that the characteristics of CQDs differ from those of ISQDs.

  15. Two new hybrid molybdenum arsenate derivative constructed from [As2Mo6O26]6- building: Synthesis, structural characterization and photocatalysis property

    Science.gov (United States)

    Zhang, Xiao; Luo, Xuan; Duan, Yuanling; Huang, Yanping; Zhang, Nanxi; Zhao, Liyan; Wu, Jie

    2017-08-01

    Two new inorganic-organic hybrid materials [Cu(enMe)2]2{(As2Mo6O26) [Cu(enMe)2]}·4H2O (1) and [As2Mo6(OH)2O24][Cu(H2O)2(phen)]2 (2) (enMe = 1,2'-propanediamine, phen = 1,10'-phenanthroline) based on [As2Mo6O26]6- building blocks, denoted as [As2Mo6], have been obtained by hydrothermal methods. 1 shows a 1-D straight chain structure constructed form [As2Mo6] building blocks and [Cu(enMe)2] complexes, and then extended to 3-D supramolecular network by lattice water via hydrogen bonds interactions. 2 exhibits a new 1-D covalent ribbon with large rectangular grids formed from [As2Mo6] building blocks connected by [Cu(H2O)2(phen)] complexes, then extended into 3-D supramolecular network via hydrogen bonds and π···π interactions. In additional, the photocatalytic activity for methylene blue degradation under visible-light irradiation of 2 was investigated.

  16. Structural refinement of Nd[Fe(CN)6].4H2O and study of NdFeO3 obtained by its oxidative thermal decomposition at very low temperatures

    International Nuclear Information System (INIS)

    Navarro, M. Carolina; Pannunzio-Miner, Elisa V.; Pagola, Silvina; Gomez, M. Ines; Carbonio, Raul E.

    2005-01-01

    The crystal structure of Nd[Fe(CN) 6 ].4H 2 O has been refined by Rietveld analysis using high resolution synchrotron powder X-ray diffraction data. It belonged to the orthorhombic crystal system, Cmcm space group, with cell parameters: a=7.473952(1)A, b=12.919104(2)A and c=13.800549(2)A. The change in space group from P6 3 /m which is observed in the pentahydrates (LnFe(CN) 6 .5H 2 O) to Cmcm in the tetrahydrates has been analyzed to be a consequence of the change in 9-fold coordination of Nd 3+ in the pentahydrates to 8-fold coordination in the tetrahydrates, which changes the Nd 3+ environment from tricapped trigonal prism to a distorted tricapped trigonal prism or square antiprism. Its decomposition process in air to produce NdFeO 3 has been followed by thermogravimetric and differential thermal analysis, IR spectroscopy and laboratory powder XRD. We found that it is possible to synthesize crystalline NdFeO 3 at temperatures as low as 380 o C and refine the structure of single phase crystalline NdFeO 3 synthesized by this method at 600 deg. C

  17. Oxygen-assisted charge transfer between ZnO quantum dots and graphene.

    Science.gov (United States)

    Guo, Wenhao; Xu, Shuigang; Wu, Zefei; Wang, Ning; Loy, M M T; Du, Shengwang

    2013-09-23

    Efficient charge transfer between ZnO quantum dots (QDs) and graphene is demonstrated by decorating ZnO QDs on top of graphene, with the assistance of oxygen molecules from the air. The electrical response of the device to UV light is greatly enhanced, and a photoconductive gain of up to 10(7) can be obtained. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. High-resolution photoelectron spectroscopy of TiO3H2-: Probing the TiO2- + H2O dissociative adduct

    Science.gov (United States)

    DeVine, Jessalyn A.; Abou Taka, Ali; Babin, Mark C.; Weichman, Marissa L.; Hratchian, Hrant P.; Neumark, Daniel M.

    2018-06-01

    Slow electron velocity-map imaging spectroscopy of cryogenically cooled TiO3H2- anions is used to probe the simplest titania/water reaction, TiO20/- + H2O. The resultant spectra show vibrationally resolved structure assigned to detachment from the cis-dihydroxide TiO(OH)2- geometry based on density functional theory calculations, demonstrating that for the reaction of the anionic TiO2- monomer with a single water molecule, the dissociative adduct (where the water is split) is energetically preferred over a molecularly adsorbed geometry. This work represents a significant improvement in resolution over previous measurements, yielding an electron affinity of 1.2529(4) eV as well as several vibrational frequencies for neutral TiO(OH)2. The energy resolution of the current results combined with photoelectron angular distributions reveals Herzberg-Teller coupling-induced transitions to Franck-Condon forbidden vibrational levels of the neutral ground state. A comparison to the previously measured spectrum of bare TiO2- indicates that reaction with water stabilizes neutral TiO2 more than the anion, providing insight into the fundamental chemical interactions between titania and water.

  19. Synthesis and crystal structure of a new 2,6-dimethyl piperazine-1,4-diium perchlorate monohydrate: [C{sub 6}H{sub 16}N{sub 2}](ClO{sub 4}){sub 2} · H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Mleh, C. Ben [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte (Tunisia); Roisnel, T. [Université de Rennes I, Centre de Diffractométrie X, UMR 6226 CNRS, Unité Sciences Chimiques de Rennes (France); Marouani, H., E-mail: houda.marouani@fsb.rnu.tn [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte (Tunisia)

    2017-03-15

    A proton transfer compound 2,6-dimethyl piperazine-1,4-diium perchlorate monohydrate was synthesized by slow evaporation at room temperature using 2,6-dimethyl piperazine as template. The asymmetric unit contains one organic dication, two crystal graphically independent perchlorate anions and one water molecule. Each organic entities is engaged in a large number of bifurcated and non-bifurcated N–H···O (O) and C–H···O hydrogen bonds with different species and enhanced the three dimensional supramolecular network. In addition, the diprotonated piperazine ring adopts a chair conformation with the methyl groups occupying equatorial positions.

  20. H3O2-, O22- and O2•- bridging ligands in cobalt(III) complexes of an acyclic phenolate-hinged dinucleating ligand

    DEFF Research Database (Denmark)

    Ghiladi, Morten; Gomez, Jonnes T.; Hazell, A.

    2003-01-01

    The dicobalt(III) complex, [Co2(bpbp)(μ-H3O2)2](ClO4)3 (bpbp− = 2,6-bis[bis(2-pyridylmethyl)aminomethyl]-4-tert-butylphenolate), obtained by reaction of cobalt(II) perchlorate with Hbpbp under ambient conditions contains two μ-H3O2− bridging ligands. The H-bonded O⋯O distances in this motif are 2...

  1. Hexaaquanickel(II tetraaquabis(μ-pyridine-2,6-dicarboxylatobis(pyridine-2,6-dicarboxylatotrinickelate(II octahydrate

    Directory of Open Access Journals (Sweden)

    Javad Safaei-Ghomi

    2010-08-01

    Full Text Available The title compound, [Ni(H2O6][Ni3(C7H3NO44(H2O4]·8H2O, was obtained by the reaction of nickel(II nitrate hexahydrate with pyridine-2,6-dicarboxylic acid (pydcH2 and 1,10-phenanothroline (phen in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different NiII atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H2O6]2+ cation and the trinuclear {[Ni(pydc2]2-μ-Ni(H2O4}2− anion are centrosymmetric. All NiII atoms exhibit an octahedral coordination geometry. Various interactions, including numerous O—H...O and C—H...O hydrogen bonds and C—O...π stacking of the pyridine and carboxylate groups [3.570 (1, 3.758 (1 and 3.609 (1 Å], are observed in the crystal structure.

  2. The vibration-rotation-tunneling levels of N2-H2O and N2-D2O

    Science.gov (United States)

    Wang, Xiao-Gang; Carrington, Tucker

    2015-07-01

    In this paper, we report vibration-rotation-tunneling levels of the van der Waals clusters N2-H2O and N2-D2O computed from an ab initio potential energy surface. The only dynamical approximation is that the monomers are rigid. We use a symmetry adapted Lanczos algorithm and an uncoupled product basis set. The pattern of the cluster's levels is complicated by splittings caused by H-H exchange tunneling (larger splitting) and N-N exchange tunneling (smaller splitting). An interesting result that emerges from our calculation is that whereas in N2-H2O, the symmetric H-H tunnelling state is below the anti-symmetric H-H tunnelling state for both K = 0 and K = 1, the order is reversed in N2-D2O for K = 1. The only experimental splitting measurements are the D-D exchange tunneling splittings reported by Zhu et al. [J. Chem. Phys. 139, 214309 (2013)] for N2-D2O in the v2 = 1 region of D2O. Due to the inverted order of the split levels, they measure the sum of the K = 0 and K = 1 tunneling splittings, which is in excellent agreement with our calculated result. Other splittings we predict, in particular those of N2-H2O, may guide future experiments.

  3. Bis(1H-imidazole-κN3bis(1-naphthaleneacetato-κ2O,O′cadmium(II

    Directory of Open Access Journals (Sweden)

    Hong-Mian Wu

    2008-05-01

    Full Text Available In the mononuclear title compound, [Cd(C12H9O22(C3H4N22], the CdII centre has a distorted octahedral coordination geometry defined by four O atoms from two naphthaleneacetate ligands and two N atoms from two imidazole ligands. The molecules are linked by N—H...O hydrogen bonds, forming a layer network.

  4. KNOWLEDGE AND MISCONCEPTIONS OF PULMONARY TUBERCULOSIS PATIENTS AT DOTS CENTRE, URBAN MEERUT.

    Directory of Open Access Journals (Sweden)

    R Bansal

    2013-06-01

    Full Text Available Background: India is the second most populated country in the world; it has more new TB cases annually than any other country. In 2008, 1.98 million were estimated to have occurred in India, of whom 0.87 million were infectious cases, thus amounting to a fifth of the global burden of TB.With the entire country geographically covered under the DOTS program, research into socioeconomic impact of TB on patients and their households is crucial for providing comprehensive patient-friendly TB services and to document the benefits of DOTS. Objective: The present study was undertaken with the following objectives: (1 To determine the socio-demographic variables of registered patients for DOTS Treatment at Urban Health Training center Meerut. (2 To assess knowledge, awareness and attitude regarding Pulmonary Tuberculosis and its treatment among the patients. Materials and Methods: A cross-sectional study of 200 TB patients was done using a pre-tested semi-quantitative questionnaire in UHTC Meerut Period of Study: During 2010-2012. Results: Knowledge and awareness regarding Pulmonary Tuberculosis in patients at DOTS centre, Urban Meerut was very poor. There is a great need to educate the people about misconceptions like food and utensils as mode of transmission. BCC using the person to person contact in community , at health center and awareness campaigns are crucial in educating the ignorance seen in our field practice area. Conclusion: Poor knowledge and misconceptions concerning tuberculosis was quite concern in the patients. TB control program will remain ineffective unless myths and fears of TB patients are addressed related to causation of tuberculosis, mode of spread, and methods of prevention.

  5. KNOWLEDGE AND MISCONCEPTIONS OF PULMONARY TUBERCULOSIS PATIENTS AT DOTS CENTRE, URBAN MEERUT.

    Directory of Open Access Journals (Sweden)

    R Bansal

    2013-08-01

    Full Text Available Background: India is the second most populated country in the world; it has more new TB cases annually than any other country. In 2008, 1.98 million were estimated to have occurred in India, of whom 0.87 million were infectious cases, thus amounting to a fifth of the global burden of TB.With the entire country geographically covered under the DOTS program, research into socioeconomic impact of TB on patients and their households is crucial for providing comprehensive patient-friendly TB services and to document the benefits of DOTS. Objective: The present study was undertaken with the following objectives: (1 To determine the socio-demographic variables of registered patients for DOTS Treatment at Urban Health Training center Meerut. (2 To assess knowledge, awareness and attitude regarding Pulmonary Tuberculosis and its treatment among the patients. Materials and Methods: A cross-sectional study of 200 TB patients was done using a pre-tested semi-quantitative questionnaire in UHTC Meerut Period of Study: During 2010-2012. Results: Knowledge and awareness regarding Pulmonary Tuberculosis in patients at DOTS centre, Urban Meerut was very poor. There is a great need to educate the people about misconceptions like food and utensils as mode of transmission. BCC using the person to person contact in community , at health center and awareness campaigns are crucial in educating the ignorance seen in our field practice area. Conclusion: Poor knowledge and misconceptions concerning tuberculosis was quite concern in the patients. TB control program will remain ineffective unless myths and fears of TB patients are addressed related to causation of tuberculosis, mode of spread, and methods of prevention.

  6. Hydrazinium lanthanide oxalates: synthesis, structure and thermal reactivity of N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce, Nd

    International Nuclear Information System (INIS)

    De Almeida, Lucie; Grandjean, Stephane; Abraham, Francis; Rivenet, Murielle; Patisson, Fabrice

    2014-01-01

    New hydrazinium lanthanide oxalates N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce (Ce-H_yO_x) and Nd (Nd- H_yO_x), were synthesized by hydrothermal reaction at 150 C between lanthanide nitrate, oxalic acid and hydrazine solutions. The structure of the Nd compound was determined from single-crystal X-ray diffraction data, space group P2_1/c with a = 16.315(4), b = 12.127(3), c = 11.430(2) Angstroms, β = 116.638(4) degrees, V = 2021.4(7) Angstroems"3, Z = 4, and R1 = 0.0313 for 4231 independent reflections. Two distinct neodymium polyhedra are formed, NdO_9 and NdO_8N, an oxygen of one monodentate oxalate in the former being replaced by a nitrogen atom of a coordinated hydrazinium ion in the latter. The infrared absorption band at 1005 cm"-"1 confirms the coordination of N_2H_5"+ to the metal. These polyhedra are connected through μ"2 and μ"3 oxalate ions to form an anionic three-dimensional neodymium-oxalate arrangement. A non-coordinated charge-compensating hydrazinium ion occupies, with water molecules, the resulting tunnels. The N-N stretching frequencies of the infrared spectra demonstrate the existence of the two types of hydrazine ions. Thermal reactivity of these hydrazinium oxalates and of the mixed isotypic Ce/Nd (CeNd-H_yO_x) oxalate were studied by using thermogravimetric and differential thermal analyses coupled with gas analyzers, and high temperature X-ray diffraction. Under air, fine particles of CeO_2 and Ce_0_._5Nd_0_._5O_1_._7_5 are formed at low temperature from Ce-H_yO_x and CeNd-H_yO_x, respectively, thanks to a decomposition/oxidation process. Under argon flow, dioxy-mono-cyanamides Ln_2O_2CN_2 are formed. (authors)

  7. Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5

    Science.gov (United States)

    Majzlan, J.; Navrotsky, A.; McCleskey, R. Blaine; Alpers, Charles N.

    2006-01-01

    Enthalpies of formation of ferricopiapite [nominally Fe4.67(SO4)6(OH)2 (H2O)20]. coquimbite [Fe2(SO4)3(H2O)9], rhomboclase [(H3O)Fe(SO4)2 (H2O)3], and Fe2(SO4)3(H2O)5 were measured by acid (5 N HCl) solution calorimetry. The samples were characterized by wet chemical analyses and synchrotron powder X-ray diffraction (XRD). The refinement of XRD patterns gave lattice parameters, atomic positions, thermal factors, and occupancies of the sites. The calculated formulae differ slightly from the nominal compositions: Fe4.78(SO4)6 (OH)2.34(H2O)20.71 (ferricopiapite), (Fe1.47Al0.53)(SO4)3 (H2O)9.65 (coquimbite), (H3O)1.34Fe(SO4)2.17 (H2O)3.06 (rhomboclase), and Fe2(SO4)3 (H2O)5.03. All thermodynamic data are given per mole of these formulae. The measured standard enthalpies (in kJ/mol) of formation from the elements (crystalline Fe, Al, S, and ideal gases O2 and H2) at T = 298.15 K are -4115.8??4.1 [Fe2(SO4)3 (H2O)5.03], -12045.1??9.2 (ferricopiapite), -5738.4??3.3 (coquimbite), and -3201.1??2.6 (rhomboclase). Standard entropy (S??) was estimated as a sum of entropies of oxide, hydroxide, and sulfate components. The estimated S?? (in J/mol.K) values for the iron sulfates are 488.2 [Fe2(SO4)3 (H2O)5.03], 1449.2 (ferricopiapite), 638.3 (coquimbite), and 380.1 (rhomboclase). The calculated Gibbs free energies of formation (in kJ/mol) are -3499.7??4.2 [Fe2(SO4)3 (H2O)5.03], -10089.8??9.3 (ferricopiapite), -4845.6??3.3 (coquimbite), and -2688.0??2.7 (rhomboclase). These results combined with other available thermodynamic data allow construction of mineral stability diagrams in the FeIII2(SO4)3-FeII SO4-H2O system. One such diagram is provided, indicating that the order of stability of ferric sulfate minerals with decreasing pH in the range of 1.5 to -0.5 is: hydronium jarosite, ferricopiapite, and rhomboclase. ?? 2006 E. Schweizerbart'sche Verlagsbuchhandlung.

  8. Brief communication: ikaite (CaCO3*6H2O) discovered in Arctic sea ice

    Science.gov (United States)

    Dieckmann, G. S.; Nehrke, G.; Uhlig, C.; Göttlicher, J.; Gerland, S.; Granskog, M. A.; Thomas, D. N.

    2010-02-01

    We report for the first time on the discovery of calcium carbonate crystals as ikaite (CaCO3*6H2O) in sea ice from the Arctic (Kongsfjorden, Svalbard). This finding demonstrates that the precipitation of calcium carbonate during the freezing of sea ice is not restricted to the Antarctic, where it was observed for the first time in 2008. This finding is an important step in the quest to quantify its impact on the sea ice driven carbon cycle and should in the future enable improvement parametrization sea ice carbon models.

  9. Martinandresite, Ba2(Al4Si12O32)·10H2O, a new zeolite from Wasenalp, Switzerland

    Science.gov (United States)

    Chukanov, Nikita V.; Zubkova, Natalia V.; Meisser, Nicolas; Ansermet, Stefan; Weiss, Stefan; Pekov, Igor V.; Belakovskiy, Dmitriy I.; Vozchikova, Svetlana A.; Britvin, Sergey N.; Pushcharovsky, Dmitry Yu.

    2018-06-01

    The new zeolite martinandresite, ideally Ba2(Al4Si12O32)·10H2O, was discovered in the armenite locality of Wasenalp near the Isenwegg peak, Ganter valley, Simplon region, Switzerland. The associated minerals are armenite, quartz, dickite, and chlorite. Martinandresite forms tan-coloured blocky crystals up to 8 × 5 × 3.5 mm, their aggregates up to 6 cm across, as well as cruciform twins up to 3.5 mm. The major form is {010}; the subordinate forms are {100} and {001}. Indistinct cleavage is observed, presumably on (010) and in a direction across (010). The Mohs' hardness is 4½. Density measured by flotation in heavy liquids is 2.482(5) g/cm3. Density calculated using the empirical formula is equal to 2.495 g/cm3. Martinandresite is optically biaxial, negative, α = 1.500(2), β = 1.512(2), γ = 1.515(2) ( λ = 589 nm). 2 V (meas.) = 55(10)°. The IR spectrum is given. The chemical composition of martinandresite is (wt%; electron microprobe, H2O determined by the modified Penfield method): Na2O 0.37, K2O 0.12, BaO 21.55, Al2O3 15.03, SiO2 49.86, H2O 12.57, total 99.50. The empirical formula based on 16 atoms Si + Al pfu is Na0.17K0.04Ba2.00(Al4.19Si11.81O32)H19.85O9.93. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is orthorhombic, space group Pmmn, with a = 9.4640(5), b = 14.2288(6), c = 6.9940(4) Å, V = 941.82(8) Å3 and Z = 1. The crystal structure of martinandresite is unique and is based on the Al-Si-O tetrahedral framework containing four-, six- and eight-membered rings of tetrahedra. Si and Al are disordered between the two independent tetrahedral sites. The strongest lines of the powder X-ray diffraction pattern [ d, Å ( I, %) ( hkl)] are: 6.98 (74) (001), 6.26 (83) (011), 5.61 (100) (101), 3.933 (60) (220, 031), 3.191 (50) (112), 3.170 (62) (041), 3.005 (79) (231, 141). Martinandresite is named after Martin Andres (b. 1965), the discoverer of the armenite locality of Wasenalp.

  10. Martinandresite, Ba2(Al4Si12O32)·10H2O, a new zeolite from Wasenalp, Switzerland

    Science.gov (United States)

    Chukanov, Nikita V.; Zubkova, Natalia V.; Meisser, Nicolas; Ansermet, Stefan; Weiss, Stefan; Pekov, Igor V.; Belakovskiy, Dmitriy I.; Vozchikova, Svetlana A.; Britvin, Sergey N.; Pushcharovsky, Dmitry Yu.

    2017-12-01

    The new zeolite martinandresite, ideally Ba2(Al4Si12O32)·10H2O, was discovered in the armenite locality of Wasenalp near the Isenwegg peak, Ganter valley, Simplon region, Switzerland. The associated minerals are armenite, quartz, dickite, and chlorite. Martinandresite forms tan-coloured blocky crystals up to 8 × 5 × 3.5 mm, their aggregates up to 6 cm across, as well as cruciform twins up to 3.5 mm. The major form is {010}; the subordinate forms are {100} and {001}. Indistinct cleavage is observed, presumably on (010) and in a direction across (010). The Mohs' hardness is 4½. Density measured by flotation in heavy liquids is 2.482(5) g/cm3. Density calculated using the empirical formula is equal to 2.495 g/cm3. Martinandresite is optically biaxial, negative, α = 1.500(2), β = 1.512(2), γ = 1.515(2) (λ = 589 nm). 2V (meas.) = 55(10)°. The IR spectrum is given. The chemical composition of martinandresite is (wt%; electron microprobe, H2O determined by the modified Penfield method): Na2O 0.37, K2O 0.12, BaO 21.55, Al2O3 15.03, SiO2 49.86, H2O 12.57, total 99.50. The empirical formula based on 16 atoms Si + Al pfu is Na0.17K0.04Ba2.00(Al4.19Si11.81O32)H19.85O9.93. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is orthorhombic, space group Pmmn, with a = 9.4640(5), b = 14.2288(6), c = 6.9940(4) Å, V = 941.82(8) Å3 and Z = 1. The crystal structure of martinandresite is unique and is based on the Al-Si-O tetrahedral framework containing four-, six- and eight-membered rings of tetrahedra. Si and Al are disordered between the two independent tetrahedral sites. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 6.98 (74) (001), 6.26 (83) (011), 5.61 (100) (101), 3.933 (60) (220, 031), 3.191 (50) (112), 3.170 (62) (041), 3.005 (79) (231, 141). Martinandresite is named after Martin Andres (b. 1965), the discoverer of the armenite locality of Wasenalp.

  11. D/H fractionation in the H2-H2O system at supercritical water conditions: Compositional and hydrogen bonding effects

    Science.gov (United States)

    Foustoukos, Dionysis I.; Mysen, Bjorn O.

    2012-06-01

    A series of experiments has been conducted in the H2-D2-D2O-H2O-Ti-TiO2 system at temperatures ranging from 300 to 800 °C and pressures between ∼0.3 and 1.3 GPa in a hydrothermal diamond anvil cell, utilizing Raman spectroscopy as a quantitative tool to explore the relative distribution of hydrogen and deuterium isotopologues of the H2 and H2O in supercritical fluids. In detail, H2O-D2O solutions (1:1) were reacted with Ti metal (3-9 h) in the diamond cell, leading to formation of H2, D2, HD, and HDO species through Ti oxidation and H-D isotope exchange reactions. Experimental results obtained in situ and at ambient conditions on quenched samples indicate significant differences from the theoretical estimates of the equilibrium thermodynamic properties of the H-D exchange reactions. In fact, the estimated enthalpy for the H2(aq)-D2(aq) disproportionation reaction (ΔHrxn) is about -3.4 kcal/mol, which differs greatly from the +0.16 kcal/mol predicted for the exchange reaction in the gas phase by statistical mechanics models. The exothermic behavior of the exchange reaction implies enhanced stability of H2 and D2 relative to HD. Accordingly, the significant energy difference of the internal H2(aq)-D2(aq)-HD(aq) equilibrium translates to strong differences of the fractionation effects between the H2O-H2 and D2O-D2 isotope exchange relationships. The D/H fractionation factors between H2O-H2(aq) and D2O-D2(aq) differ by 365‰ in the 600-800 °C temperature range, and are indicative of the greater effect of D2O contribution to the δD isotopic composition of supercritical fluids. The negative ΔHrxn values for the H2(aq)-D2(aq)-HD(aq) equilibrium and the apparent decrease of the equilibrium constant with increasing temperature might be because of differences of the Henry’s law constant between the H- and D-bearing species dissolved in supercritical aqueous solutions. Such effects may be attributed to the stronger hydrogen bonding in the O-H⋯O relative to the

  12. NMRON on a mixed halide antiferromagnet, (54Mn)Mn(Cl0.6Br0.4)2.4H2O

    International Nuclear Information System (INIS)

    Chaplin, D.H.; Harker, S.J.; Hutchison, W.D.; Bowden, G.J.

    2000-01-01

    Full text: Recently we reported on the significant gains that can be made in Low Temperature Nuclear Orientation (LTNO) of the magnetically dominant species in an antiferromagnetic single crystal by heterogeneous mixing of the halide ligands. This new approach relies on enhanced nuclear spin lattice relaxation (NSLR) at the magnetic ion, in this case Mn, through broadbanded electronic magnons, in the cooled, single crystal host. Whereas the isomorphous terminal compounds ( 54 Mn)MnCI 2 .4H 2 O and ( 54 Mn)MnBr 2 .4H 2 O, have yielded zero field directional anisotropies of only 5% and 14%, respectively, from the daughter gamma from the long-lived parent 54 Mn, the mixed halides have yielded up to 40% zero field gamma anisotropy at the same base temperature of about 7-8 millikelvin. This improved zero field LTNO provides sufficient sensitivity to enable meaningful NMRON studies of the details of the hyperfine parameters at the Mn site in these mixed halide systems. In this paper we provide the NMRON results for single crystal ( 54 Mn)Mn(CI 0.6 Br 0.4 ) 2 .4H 2 O and compare them with the two terminal compounds which possess surprisingly different NMR responses due to different ratios of magnetic exchange to magnetic anisotropy fields. It is shown that whereas the static magnetic hyperfine field at the Mn nucleus is largely unchanged, and the spin flop field nicely interpolates when compared with the terminal compounds, there are significant differences in the pseudoquadrupolar splittings and sub-resonance linewidths

  13. Synthesis and 3D Network Architecture of 1- and 16-Hydrated Salts of 4-Dimethylaminopyridinium Decavanadate, (DMAPH6[V10O28]·nH2O

    Directory of Open Access Journals (Sweden)

    Eduardo Sánchez-Lara

    2016-05-01

    Full Text Available Two hybrid materials based on decavanadates (DMAPH6[V10O28]·H2O, (1 and (DMAPH6[V10O28]·16H2O, (2 (where DMAPH = 4-dimethylaminopyridinium were obtained by reactions under mild conditions at T = 294 and 283 K, respectively. These compounds are pseudopolymorphs, which crystallize in monoclinic P 2 1 / n and triclinic P 1 ¯ space groups. The structural analysis revealed that in both compounds, six cations DMAPH+ interact with decavanadate anion through N-H∙∙∙Odec hydrogen bonds; in 2, the hydrogen-bonding association of sixteen lattice water molecules leads to the formation of an unusual network stabilized by decavanadate clusters; this hydrogen-bond connectivity is described using graph set notation. Compound 2 differs basically in the water content which in turn increases the π∙∙∙π interactions coming from pyridinium rings. Elemental and thermal analysis (TGA/DSC as well as FT-IR, FT-Raman, for 1 and 2 are consistent with both structures and are also presented.

  14. Improved radiosensitive microcapsules using H2O2

    International Nuclear Information System (INIS)

    Harada, Satoshi; Ehara, Shigeru; Ishii, Keizo

    2010-01-01

    The radiation-induced releasing of the liquid-core of the microcapsules was improved using H 2 O 2 , which produced O 2 generation of H 2 O 2 after irradiation. Further, we tested whether these microcapsules enhanced the antitumor effects and decreased the adverse effects in vivo in C3He/J mice. The capsules were produced by spraying a mixture of 3.0% hyaluronic acid, 2.0% alginate, 3.0% H 2 O 2 , and 0.3 mmol of carboplatin on a mixture of 0.3 mol FeCl 2 and 0.15 mol CaCl 2 . The microcapsules were subcutaneously injected into MM46 tumors that had been inoculated in the left hind legs of C3He/J mice. The radiotherapy comprised tumor irradiation with 10 Gy or 20 Gy 60 Co. The antitumor effect of the microcapsules was tested by measuring tumor size and monitoring tumor growth. Three types of adverse effects were considered: fuzzy hair, loss of body weight, and death. The size of the capsule size was 23±2.4 μmφ and that of the liquid core, 20.2±2.2 μmφ. The injected microcapsules localized drugs around the tumor. The production of O 2 by radiation increased the release of carboplatin from the microcapsules. The antitumor effects of radiation, carboplatin, and released oxygen were synergistic. Localization of the carboplatin decreased its adverse effects. However, the H 2 O 2 caused ulceration of the skin in the treated area. The use of our microcapsules enhanced the antitumor effects and decreased the adverse effects of carboplatin. However, the skin-ulceration caused by H 2 O 2 must be considered before these microcapsules can be used clinically. (author)

  15. Generation of deposits and self ignited fires in H2S-H2O services (Paper No. 4.6)

    International Nuclear Information System (INIS)

    Agarwal, A.K.; Hiremath, S.C.

    1992-01-01

    The Heavy Water Plant (Kota) uses a large inventory of H 2 S gas at a nominal pressure and temperature. The plant has used mild steels/carbon steels as the material of construction of vessels, piping, flanges and fasteners. The entire construction is with flanged joints with raised face and spiral wound gaskets. Any leakages from any of the pipe line, flanged joints, heat exchanger covers, valve bonnets, valve glands etc causes H 2 S and H 2 O to leak out which generate deposits around the leakage paths after reaction with mild steel/carbon steels. The deposits grow into hard material, cause corrosion and thinning of stud bolts and gasket outer rings, weaken the confidence in the joint, and also cause ignited fires as they provide a source of ignition under certain conditions. (author). 2 refs

  16. Decolorization and Mineralization of Reactive Dyes, by the H2O2/UV Process With Electrochemically Produced H2O2

    NARCIS (Netherlands)

    Jeric, T.; Bisselink, R.J.M.; Tongeren, W. van; Marechal. A.M. Le

    2013-01-01

    Decolorization of Reactive Red 238, Reactive Orange 16, Reactive Black 5 and Reactive Blue 4 was studied in the UV/H2O2 process with H2O2 being produced electrochemically. The experimental results show that decolorization increased considerably when switching on the electrochemical production of

  17. Nitroxides protect horseradish peroxidase from H2O2-induced inactivation and modulate its catalase-like activity.

    Science.gov (United States)

    Samuni, Amram; Maimon, Eric; Goldstein, Sara

    2017-08-01

    Horseradish peroxidase (HRP) catalyzes H 2 O 2 dismutation while undergoing heme inactivation. The mechanism underlying this process has not been fully elucidated. The effects of nitroxides, which protect metmyoglobin and methemoglobin against H 2 O 2 -induced inactivation, have been investigated. HRP reaction with H 2 O 2 was studied by following H 2 O 2 depletion, O 2 evolution and heme spectral changes. Nitroxide concentration was followed by EPR spectroscopy, and its reactions with the oxidized heme species were studied using stopped-flow. Nitroxide protects HRP against H 2 O 2 -induced inactivation. The rate of H 2 O 2 dismutation in the presence of nitroxide obeys zero-order kinetics and increases as [nitroxide] increases. Nitroxide acts catalytically since its oxidized form is readily reduced to the nitroxide mainly by H 2 O 2 . The nitroxide efficacy follows the order 2,2,6,6-tetramethyl-piperidine-N-oxyl (TPO)>4-OH-TPO>3-carbamoyl proxyl>4-oxo-TPO, which correlates with the order of the rate constants of nitroxide reactions with compounds I, II, and III. Nitroxide catalytically protects HRP against inactivation induced by H 2 O 2 while modulating its catalase-like activity. The protective role of nitroxide at μM concentrations is attributed to its efficient oxidation by P940, which is the precursor of the inactivated form P670. Modeling the dismutation kinetics in the presence of nitroxide adequately fits the experimental data. In the absence of nitroxide the simulation fits the observed kinetics only if it does not include the formation of a Michaelis-Menten complex. Nitroxides catalytically protect heme proteins against inactivation induced by H 2 O 2 revealing an additional role played by nitroxide antioxidants in vivo. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. SIMULTANEOUS OBSERVATIONS OF SiO AND H2O MASERS TOWARD SYMBIOTIC STARS

    International Nuclear Information System (INIS)

    Cho, Se-Hyung; Kim, Jaeheon

    2010-01-01

    We present the results of simultaneous observations of SiO v = 1, 2, J = 1-0, 29 SiO v = 0, J = 1-0, and H 2 O 6 16 -5 23 maser lines performed with the KVN Yonsei 21 m radio telescope from 2009 November to 2010 January. We searched for these masers in 47 symbiotic stars and detected maser emission from 21 stars, giving the first time detection from 19 stars. Both SiO and H 2 O masers were detected from seven stars of which six were D-type symbiotic stars and one was an S-type star, WRAY 15-1470. In the SiO maser emission, the 28 SiO v = 1 maser was detected from 10 stars, while the v = 2 maser was detected from 15 stars. In particular, the 28 SiO v = 2 maser emission without the v = 1 maser detection was detected from nine stars with a detection rate of 60%, which is much higher than that of isolated Miras/red giants. The 29 SiO v = 0 maser emission was also detected from two stars, H 2-38 and BF Cyg, together with the 28 SiO v = 2 maser. We conclude that these different observational results between isolated Miras/red giants and symbiotic stars may be related with the presence of hot companions in a symbiotic binary system.

  19. Hydrates of the alkali trioxidomonosulfidomolybdates and -tungstates. K{sub 2}[(Mo/W)O{sub 3}S] . 1.5 H{sub 2}O and (Rb/Cs){sub 2}[(Mo/W)O{sub 3}S] . H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Lehner, Anna J.; Braitsch, Milan; Roehr, Caroline [Freiburg Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2012-11-01

    The trioxidomonosulfidomolybdate and -tungstate anions [(Mo/W)O{sub 3}S]{sup 2-} are the first products formed when passing H{sub 2}S gas through a solution of the oxidometalates. Their potassium, rubidium and cesium salt hydrates form as crystalline precipitates from these solutions depending on pH, the polarity of the solvent, educt concentrations and temperature. The structures of the sesqui- (K) and mono- (Rb, Cs) hydrates have been determined by means of X-ray single crystal diffraction data. The potassium sesquihydrates K{sub 2}[(Mo/W)O{sub 3}S] . 1.5 H{sub 2}O are isotypic and crystallize with a new structure type (monoclinic, space group C2/c, M = Mo/W: a = 987.0(2)/993.13(11), b = 831.75(14)/831.10(11), c = 1868.9(4)/1865.2(2) pm, {beta} = 99.34(2)/99.153(8) , R1 = 0.0352/0.0390). In the crystal structure the [(Mo/W)O{sub 3}S]{sup 2-} anions are connected via hydrogen bonds to form columns along the c direction. Channels containing only water molecules run along the [101] direction. The dehydration process proceeds in a topotactic reaction between 60 to 95 C and yields crystals of the anhydrous salts K{sub 2}[(Mo/W)O{sub 3}S]. The two different K+ cations exhibit a 5 + 3 and 5 + 2 O/S coordination. The heavier alkali metal cations form the four monohydrates (Rb/Cs){sub 2}[(Mo/W)O{sub 3}S] . H{sub 2}O (trigonal rhombohedral, space group R anti 3m) with lattice parameters for the Rb/Cs molybdates of a = 621.17(6)/624.62(10), c = 3377.9(4)/3388.6(8) pm (R1 = 0.0505/0.0734) and the tungstates of a = 642.80(3)/643.3(4), c = 3532.8(3)/3566(4) pm (R1 = 0.0348/0.0660). In the structures the 3m symmetrical tetrahedra are arranged to form double layers in such a way, that the O{sub 3} bases of the tetrahedra are pointing towards each other in a staggered conformation. These double layers are stacked in the c direction in a rhombohedral sequence. In these hydrates, there are no distinct hydrogen bonds. Instead, partially disordered pairs of H{sub 2}O molecules are

  20. A novel H2S/H2O2 fuel cell operating at the room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Sanli, Ayse Elif [Gazi University (Turkey)], email: aecsanli@gmail.com; Aytac, Aylin [Department of Chemistry, Faculty of Science, Gazi University, Teknikokullar (Turkey)], email: aytaca@gazi.edu.tr

    2011-07-01

    This study concerns the oxidation mechanism of hydrogen sulfide and a fuel cell; acidic peroxide is used as the oxidant and basic hydrogen sulfide is the fuel. A solid state H2S/H2O2 stable fuel cell was produced at room temperature. A cell potential of 0.85 V was reached; this is quite remarkable in comparison to the H2S/O2 fuel cell potential of 0.85 V obtained at 850-1000 degree celsius. The hydrogen sulfide goes through an oxidation reaction in the alkaline fuel cell (H2S/H2O2 fuel cell) which opens up the possibility of using the cheaper nickel as a catalyst. As a result, the fuel cell becomes a potentially low cost technology. A further benefit from using H2S as the alkaline liquid H2S/H2O2 fuel cell, is that sulfide ions are oxidized at the anode, releasing electrons. Sulfur produced reacts with the other sulfide ions and forms disulfide and polysulfide ions in basic electrolytes (such as Black Sea water).

  1. Hydrothermal synthesis and crystal structure of the Ni2(C4H4N2)(V4O12)(H2O)2 and Ni3(C4H4N2)3(V8O23) inorganic-organic hybrid compounds. Thermal, spectroscopic and magnetic studies of the hydrated phase

    International Nuclear Information System (INIS)

    Larrea, Edurne S.; Mesa, Jose L.; Pizarro, Jose L.; Arriortua, Maria I.; Rojo, Teofilo

    2007-01-01

    Ni 2 (C 4 H 4 N 2 )(V 4 O 12 )(H 2 O) 2 , 1, and Ni 3 (C 4 H 4 N 2 ) 3 (V 8 O 23 ), 2, have been synthesized using mild hydrothermal conditions at 170 deg. C under autogenous pressure. Both phases crystallize in the P-1 triclinic space group, with the unit-cell parameters, a=7.437(7), b=7.571(3), c=7.564(4) A, α=65.64(4), β=76.09(4), γ=86.25(3) o for 1 and a=8.566(2), b=9.117(2), c=12.619(3) A, α=71.05(2), β=83.48(4), γ=61.32(3) o for 2, being Z=2 for both compounds. The crystal structure of the three-dimensional 1 is constructed from layers linked between them through the pyrazine molecules. The sheets are formed by edge-shared [Ni 2 O 6 (H 2 O) 2 N 2 ] nickel(II) dimers octahedra and rings composed by four [V 4 O 12 ] vanadium(V) tetrahedra linked through vertices. The crystal structure of 2 is formed from vertex shared [VO 4 ] tetrahedra that give rise to twelve member rings. [NiO 4 (C 4 H 4 N 2 ) 2 ] ∞ chains, resulting from [NiO 4 N 2 ] octahedra and pyrazine molecules, give rise to a 3D skeleton when connecting to [VO 4 ] tetrahedra. Diffuse reflectance measurements of 1 indicate a slightly distorted octahedral geometry with values of Dq=880, B=980 and C=2700 cm -1 . Magnetic measurements of 1, carried out in the 5.0-300 K range, indicate the existence of antiferromagnetic couplings with a Neel temperature near to 38 K. - Graphical abstract: Crystal structure of a sheet of Ni 2 (C 4 H 4 N 2 )(V 4 O 12 )(H 2 O) 2

  2. Electrochemical, H2O2-Boosted Catalytic Oxidation System

    Science.gov (United States)

    Akse, James R.; Thompson, John O.; Schussel, Leonard J.

    2004-01-01

    An improved water-sterilizing aqueous-phase catalytic oxidation system (APCOS) is based partly on the electrochemical generation of hydrogen peroxide (H2O2). This H2O2-boosted system offers significant improvements over prior dissolved-oxygen water-sterilizing systems in the way in which it increases oxidation capabilities, supplies H2O2 when needed, reduces the total organic carbon (TOC) content of treated water to a low level, consumes less energy than prior systems do, reduces the risk of contamination, and costs less to operate. This system was developed as a variant of part of an improved waste-management subsystem of the life-support system of a spacecraft. Going beyond its original intended purpose, it offers the advantage of being able to produce H2O2 on demand for surface sterilization and/or decontamination: this is a major advantage inasmuch as the benign byproducts of this H2O2 system, unlike those of systems that utilize other chemical sterilants, place no additional burden of containment control on other spacecraft air- or water-reclamation systems.

  3. NMR study of the molecular nanomagnet [Fe8(N3C6H15)6O2(OH)12]·[Br8·9H2O] in the high-spin magnetic ground state

    International Nuclear Information System (INIS)

    Furukawa, Y.; Kumagai, K.; Lascialfari, A.; Aldrovandi, S.; Borsa, F.; Sessoli, R.; Gatteschi, D.

    2001-01-01

    The magnetic molecular cluster [Fe 8 (N 3 C 6 H 15 ) 6 O 2 (OH) 12 ] 8+ [Br 8 ·9H 2 O] 8- , in short Fe8, has been investigated at low temperature by 1 H-NMR and relaxation measurements. Some measurements of 2 D-NMR in partially deuterated Fe8 clusters will also be reported. Upon decreasing temperature the NMR spectra display a very broad and structured signal which is the result of the internal local fields at the proton sites due to the local moments of the Fe(III) ions in the total S=10 magnetic ground state. The proton and deuteron NMR spectra have been analyzed and the different resonance peaks have been attributed to the different proton groups in the molecule. The simulation of the spectra by using a dipolar hyperfine field and the accepted model for the orientation of the Fe(III) local moments do not agree with the experiments even when the magnitude of the local Fe(III) moments is allowed to vary. It is concluded that a positive contact hyperfine interaction of the same order of magnitude as the dipolar interaction is present for all proton sites except the water molecules. The temperature and magnetic field dependence of the nuclear spin-lattice relaxation rate is ascribed to the fluctuations of the local Fe(III) moments, which follow rigidly the fluctuations of the total ground state magnetization of the nanomagnet. By using a simple model already utilized for the Mn12 cluster, we derive the value of the spin phonon coupling constant which determines the lifetime broadening of the different magnetic quantum number m substates of the S=10 ground state. It is shown that the lifetime broadening decreases rapidly on lowering the temperature. When the lifetime becomes longer than the reciprocal of the frequency shift of the proton lines a structure emerges in the NMR spectrum reflecting the ''frozen'' local moment configuration

  4. Facile hydrothermal synthesis of polyhedral Fe3O4 nanocrystals, influencing factors and application in the electrochemical detection of H2O2

    International Nuclear Information System (INIS)

    Yuan Kefeng; Ni Yonghong; Zhang Li

    2012-01-01

    Highlights: ► Fe 3 O 4 polyhedra had been successfully synthesized by a facile hydrothermal technology. ► The as-obtained product exhibited the room-temperature ferrimagnetic property. ► The final product could be prepared into an electrochemical sensor for the detection of H 2 O 2 . - Abstract: Polyhedral Fe 3 O 4 nanocrystals have been successfully synthesized by a facile hydrothermal technique, employing FeSO 4 ·7H 2 O, N 2 H 4 and NH 3 ·H 2 O as the reactants without the assistance of any surfactant. The phase of the as-obtained Fe 3 O 4 was characterized by X-ray powder diffraction (XRD) and further proved by Rietveld refinement of XRD data. Energy dispersive spectrometry (EDS) and scanning electron microscopy (SEM) were used for the composition and morphology analyses of the final product. Some factors influencing the formation of polyhedral Fe 3 O 4 nanocrystals were systematically investigated, including the reaction temperature and time, and the original volume ratio of NH 3 ·H 2 O/N 2 H 4 ·H 2 O. It was found that the as-prepared Fe 3 O 4 polyhedra exhibited a good electrochemical property in 0.1 M phosphate buffer solution (PBS) with pH 7.0 and could be prepared into an electrochemical sensor for the detection of H 2 O 2 . The linear response range of the sensor was 10.0 × 10 −6 to 140.0 × 10 −6 M and a sensitivity was 11.05 μA/mM. Furthermore, the room-temperature magnetic property of the product was also investigated.

  5. Catalase activity is stimulated by H2O2 in rich culture medium and is required for H2O2 resistance and adaptation in yeast ☆

    OpenAIRE

    Martins, Dorival; English, Ann M.

    2014-01-01

    Catalases are efficient scavengers of H2O2 and protect cells against H2O2 stress. Examination of the H2O2 stimulon in Saccharomyces cerevisiae revealed that the cytosolic catalase T (Ctt1) protein level increases 15-fold on H2O2 challenge in synthetic complete media although previous work revealed that deletion of the CCT1 or CTA1 genes (encoding peroxisomal/mitochondrial catalase A) does not increase the H2O2 sensitivity of yeast challenged in phosphate buffer (pH 7.4). This we attributed to...

  6. Cosmetic wastewater treatment by the ZVI/H2O2 process.

    Science.gov (United States)

    Bogacki, Jan; Marcinowski, Piotr; Zapałowska, Ewa; Maksymiec, Justyna; Naumczyk, Jeremi

    2017-10-01

    The ZVI/H 2 O 2 process was applied for cosmetic wastewater treatment. Two commercial zero-valent iron (ZVI) types with different granulations were chosen: Hepure Ferrox PRB and Hepure Ferrox Target. In addition, the pH and stirring method influence on ZVI/H 2 O 2 process efficiency was studied. During the ZVI and ZVI/H 2 O 2 processes, linear Fe ions concentration increase was observed. The addition of H 2 O 2 significantly accelerated the iron dissolution process. The highest COD removal was obtained using finer ZVI (Hepure Ferrox Target) for doses of reagents ZVI/H 2 O 2 1500/1600 mg/L, in a H 2 O 2 /COD weight ratio 2:1, at pH 3.0 with stirring on a magnetic stirrer. After 120 min of the process, 84.0% COD removal (from 796 to 127 mg/L) was achieved. It was found that the efficiency of the process depends, as in the case of the Fenton process, on the ratio of the reagents (ZVI/H 2 O 2 ) and their dose in relation to the COD (H 2 O 2 /COD) but does not depend on the dose of the iron itself. Statistical analysis confirms that COD removal efficiency depends primarily on H 2 O 2 /COD ratio and ZVI granulation, but ZVI dose influence is not statistically significant. The head space, solid-phase microextraction, gas chromatography, mass spectrometry results confirm high efficiency of the ZVI/H 2 O 2 process.

  7. Synthesis and crystal structure of trans-[Ni(pyzdcH)M 2 (H 2 O) 2 ...

    African Journals Online (AJOL)

    The determined structure of the title compound C24H20Ni2N8O20 consists of the mononuclear trans-[Ni(pyzdc)2(H2O)2], (pyzdc = pyrazine-2,3- dicarboxylate). The Ni(II) atom is hexa-coordinated by two (pyzdcH)- groups and two water molecules. The coordinated water molecules are in trans-diaxial positions and the ...

  8. Atomic-Scale View on the H2O Formation Reaction from H2 on O-Rich RuO2(110)

    DEFF Research Database (Denmark)

    Wei, Yinying; Martinez, Umberto; Lammich, Lutz

    2014-01-01

    The H2O formation reaction from H-2 on O-rich RuO2(110) was studied by temperature-programmed desorption and reaction (TPD/TPR) and scanning tunneling microscopy (STM) measurements and density functional theory (DFT) calculations. On the one hand, following H-2 adsorption at 270 K, our TPD/TPR me...

  9. Neutron Spectra in H{sub 2}O, D{sub 2}O, BeO and CH{sub 2}; Spectres de Neutrons dans H{sub 2}O, D{sub 2}O, BeO et CH{sub 2}; Spektry nejtronov v H{sub 2}O, D{sub 2}O, BeO i CH{sub 2}; Espectros Neutronicos en H{sub 2}O, D{sub 2}O, BeO y CH{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Neill, J. M.; Young, J. C.; Trimble, G. D.; Beyster, J. R. [General Atomic Division of General Dynamics Corporation, John Jay Hopkins Laboratory for Pure and Applied Science, San Diego, CA (United States)

    1965-08-15

    Thermal neutron spectral measurements in moderators of interest to reactor technology are being made at General Atomic. The purpose of these measurements is to provide an integral check of the adequacy of proposed scattering models for these moderators. At present the scattering kernels are obtained by measuring the double differential scattering cross-sections directly, or by inferring them from a study of the vibrational and rotational motions of the molecules in a liquid or the lattice vibrational spectrum in a solid. The direct measurement has suffered from some experimental difficulties, such as obtaining the desired intensity and resolution and making the proper corrections for multiple scattering in the sample. From the standpoint of the application to reactor technology, the latter procedure for obtaining the scattering kernel has been more satisfactory in many instances. The integral measurements that have been made, coupled to comparative calculations of the neutron spectra, allow comment to be made on the status of the theoretical scattering models for H{sub 2}O, D{sub 2}O and BeO. In this paper, angular- and position-dependent spectra measured in H{sub 2}O and D{sub 2}O poisoned with boron or cadmium are presented and show improved agreement with the theoretical values. It appears that the Nelkin model for H{sub 2}O provides a reasonable first description for the scattering by that moderator. It also appears that the Honeck model for D{sub 2}O, an extension of the incoherent model for H{sub 2}O of Nelkin, is also an adequate description for some applications. This is surprising since deuterium, unlike hydrogen, is mostly a coherent scatterer; however it supports recent studies by Koppel which showed that the intramolecular and intermolecular interference scattering terms in D{sub 2}O tend to cancel. Measured angularly-dependent neutron spectra in BeO poisoned with borated stainless steel are also presented. In general the agreement of measurement with

  10. REMEDIATION OF TEXTILE DYES MIXTURES USING TIO2/VIS PHOTOCATALYSIS AND FENTON FE2+/H2O2

    Directory of Open Access Journals (Sweden)

    P. M. Andrade

    2015-12-01

    Full Text Available This study aimed to use the following treatment technology: TiO2 photocatalysis and Fenton reaction for the remediation of mixture of textile dyes.  For the photocatalytic treatment it was obtained a reduction in color of 80% and Chemical Oxygen Demand of 60% using for this 600 mg L-1 of TiO2, 1500  mL min-1 recirculation flow, temperature 40 oC/45 oC and pH = 6.3 for 60 minutes of treatment. By Fenton reaction it was reached color reduction at 95% and Chemical Oxygen Demand reduction at 75% employing 60 mg L-1 H2O2, 50 mg L-1 de Fe2+ and pH = 4.0 for 62 minutes of treatment.

  11. Physicochemical investigation of Bi2MoO6 solid-phase interaction with Sm2MoO6

    International Nuclear Information System (INIS)

    Khajkina, E.G.; Kovba, L.M.; Bazarova, Zh.G.; Khal'baeva, K.M.; Khakhinov, V.V.; Mokhosoev, M.V.

    1986-01-01

    Bi 2 MoO 6 -Sm 2 MoO 6 interaction in the temperature range of 700-1000 deg C is studied using X-ray phase analysis and vibrational spectroscopy. Formation of monoclinic solid solutions based on γ'-Bi 2 MoO 6 and B 2-x Sm x MoO 6 varied composition phase with α-Ln 2 MoO 6 structure which homogeneity region extent at 1000 deg C constitutes ∼ 50 mol % (0.7≤x≤1.7) is stated. Crystallographic characteristics of the synthesized phases are determined

  12. Synthesis, crystal structure and magnetic properties of [Cu(mal(abpt(H2O].3/2H2O and [Cu2(sq(abpt 2].2H2O (mal = malonate, sq = squarate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole

    Directory of Open Access Journals (Sweden)

    Eno A. Ededet

    2011-04-01

    Full Text Available Two new mixed-ligand complexes of formula [Cu(mal(abpt(H2O].3/2H2O (1 and [Cu2(sq(abpt2].2H2O (2 [mal = malonate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole and sq = squarate], have been prepared and characterized by X-ray crystal structure determination and magnetic studies. Complex 1 crystallizes in the monoclinic system, space group C2/c, with a = 14.0086(2 Å, b = 10.0980(2 Å, c = 25.630(4 Å; β = 97.5900(10 o, and Z = 8. Complex 2 crystallizes in the triclinic system, space group P-1 with a = 7.5696(15 Å, b = 8.4697(17 Å, c = 11.049(2 Å; β = 93.00(3o, α = 96.98(3, γ = 90.111(3 and Z = 1. Complex 1 consist of a neutral mononuclear [Cu(mal(abpt(H2O] unit and water molecule of crystallization in a distorted square pyramidal coordination sphere, while complex 2 is viewed as being made up of [Cu(sq(abpt2] units with the squarato ligand bridging the two copper(II cations. Variable temperature magnetic behaviour of the complexes reveals the existence of weak antiferromagnetic interaction for complex 1 and weak ferromagnetic intrachain interaction for complex 2.

  13. Obtention of agricultural gypsum traced on 34 S (Ca34 SO4.2H2O), by chemical reaction between H234 SO4 and Ca(OH)2

    International Nuclear Information System (INIS)

    Rossete, Alessandra L.R.M.; Bendassolli, Jose A.; Ignoto, Raquel de Fatima; Batagello, Hugo Henrique

    2002-01-01

    The gypsum (CaSO 4 .2H 2 O) has double function in the soil: as source of calcium and sulfur and reducing agent of aluminum saturation. The sulfur for the plants has acting in the vital functions and it is proven fact increase of the S deficiency in Brazilian soils. The isotope tracer 34 S can elucidate important aspects in the sulfur cycle. The Ca 34 SO 4 .2H 2 O was obtained by chemical reaction between Ca(OH) 2 and H 2 34 SO 4 solution. The acid was obtained by chromatography ionic change, using cationic resin Dowex 50WX8 and Na 2 34 SO 4 solution. The reaction was realized under slow agitation. After the reaction, the precipitate was separated and dried in ventilated stove at 60 deg C temperature. The Mass of the Ca 34 SO 4 .2H 2 O produced was determined by method gravimetric. This way, a system contends resin 426 cm 3 , considering volume of 2.2 liters can be obtained a solution contends 44.2 g of H 2 34 SO 4 , theoretically could be produced 78.0 g of Ca 34 SO 4 .2H 2 O approximately. With results of the tests were verified that there was not total precipitation of the Ca 34 SO 4 .2H 2 O. Were produced 73.7± 0.6 g of Ca 34 SO 4 .2H 2 O representing average income 94.6±0.8 %. The purity of the produced CaSO 4 .2H 2 O was 98%. (author)

  14. catena-Poly[[[aquacadmium(II]bis(μ-4-hydroxypyridine-2,6-dicarboxylato[aquacadmium(II]di-μ-aqua] tetrahydrate

    Directory of Open Access Journals (Sweden)

    Hoda Pasdar

    2008-10-01

    Full Text Available The title polymeric compound, {[Cd2(C7H3NO52(H2O4]·4H2O}n or {[Cd2(hypydc2(H2O4]·4H2O}n (where hypydcH2 is 4-hydroxypyridine-2,6-dicarboxylic acid, was synthesized by the reaction of cadmium(II nitrate hexahydrate with 4-hydroxypyridine-2,6-dicarboxylic acid and propane-1,3-diamine, in a 1:2:2 molar ratio in aqueous solution. The compound is a seven-coordinate binuclear polymeric complex with distorted pentagonal bipyramidal geometry around CdII [Cd—O = 2.247 (4–2.474 (3 Å]. In the binuclear monomeric units, the central atoms join together by O atoms of two bridging tridentate (hypydc2− ligands, and the polymer propagates via two bridging water molecules that link each CdII centre of one monomer to the adjacent neighbour. Propane-1,3-diamine (pn does not appear in the product but plays a role as a base. Intermolecular O—H...O and C—H...O hydrogen bonds, and π–π stacking interactions, with distances of 3.725 (3 and 3.766 (3 Å, connect the various components.

  15. Electrochemical performance of La-doped Sr{sub 2}MgMoO{sub 6-{delta}} in natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Yuan [Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); College of Physics, Jilin University, 2519 Jiefang Road, Changchun 130023, Jilin Province (China); Huang, Yun-Hui; Goodenough, John B. [Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); Ying, Jie-Rong [Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); Institute of Nuclear and New Energy Technology, Tsinghua University, P.O. Box 1021, Beijing 102201 (China)

    2007-08-15

    Modification of the double perovskite Sr{sub 2}MgMoO{sub 6-{delta}} by La substitution has shown that Sr{sub 2-x}La{sub x}MgMoO{sub 6-{delta}} with 0.6 {<=} x {<=} 0.8 has better performance as the anode of a solid oxide fuel cell. With a Sr{sub 1.2}La{sub 0.8}MgMoO{sub 6-{delta}} anode, LSGM electrolyte, SrCo{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}} cathode, and a La{sub 0.5}Ce{sub 0.4}O{sub 1.7-{delta}} buffer layer between the anode and the electrolyte, a maximum power density of 550 mW/cm{sup 2} has been obtained for a SOFC operating on wet methane (3%H{sub 2}O) at 800 C. The performance of the SOFC using C{sub 2}H{sub 6} fuel, like that of CH{sub 4}, changes little on switching from dry C{sub 2}H{sub 6} to 3% H{sub 2}O/C{sub 2}H{sub 6}, but improvement with wet C{sub 3}H{sub 8} shows that some steam will need to be added to a moderately desulfurized natural-gas fuel. (author)

  16. Stability of globular proteins in H2O and in D2O

    NARCIS (Netherlands)

    Efimova, Y.M.; Haemers, S.; Wierczinsky, B.; Norde, W.; Well, van A.A.

    2007-01-01

    In several experimental techniques D2O rather then H2O is often used as a solvent for proteins. Concerning the influence of the solvent on the stability of the proteins, contradicting results have been reported in literature. In this paper the influence of H2O-D2O solvent substitution on the

  17. Obtention of agricultural gypsum traced on {sup 34} S (Ca{sup 34} SO{sub 4}.2H{sub 2}O), by chemical reaction between H{sub 2}{sup 34} SO{sub 4} and Ca(OH){sub 2}; Obtencao do gesso agricola marcado no {sup 34} S (Ca{sup 34} SO{sub 4}.2H{sub 2}O), por reacao quimica entre o H{sub 2}{sup 34} SO{sub 4} e Ca(OH){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Rossete, Alessandra L.R.M.; Bendassolli, Jose A.; Ignoto, Raquel de Fatima; Batagello, Hugo Henrique [Centro de Energia Nuclear na Agricultura (CENA), Piracicaba, SP (Brazil). Lab. de Isotopos Estaveis

    2002-07-01

    The gypsum (CaSO{sub 4}.2H{sub 2}O) has double function in the soil: as source of calcium and sulfur and reducing agent of aluminum saturation. The sulfur for the plants has acting in the vital functions and it is proven fact increase of the S deficiency in Brazilian soils. The isotope tracer {sup 34} S can elucidate important aspects in the sulfur cycle. The Ca{sup 34} SO{sub 4}.2H{sub 2}O was obtained by chemical reaction between Ca(OH){sub 2} and H{sub 2}{sup 34} SO{sub 4} solution. The acid was obtained by chromatography ionic change, using cationic resin Dowex 50WX8 and Na{sub 2}{sup 34} SO{sub 4} solution. The reaction was realized under slow agitation. After the reaction, the precipitate was separated and dried in ventilated stove at 60 deg C temperature. The Mass of the Ca{sup 34} SO{sub 4}.2H{sub 2}O produced was determined by method gravimetric. This way, a system contends resin 426 cm{sup 3}, considering volume of 2.2 liters can be obtained a solution contends 44.2 g of H{sub 2}{sup 34} SO{sub 4}, theoretically could be produced 78.0 g of Ca{sup 34} SO{sub 4}.2H{sub 2}O approximately. With results of the tests were verified that there was not total precipitation of the Ca{sup 34}SO{sub 4}.2H{sub 2}O. Were produced 73.7{+-} 0.6 g of Ca{sup 34} SO{sub 4}.2H{sub 2}O representing average income 94.6{+-}0.8 %. The purity of the produced CaSO{sub 4}.2H{sub 2}O was 98%. (author)

  18. Crystal structure of μ-oxalato-κ2O1:O2-bis[(dimethyl sulfoxide-κOtriphenyltin(IV

    Directory of Open Access Journals (Sweden)

    Serigne Fallou Pouye

    2017-07-01

    Full Text Available In the previously reported [C2O4(SnPh32] complex [Diop et al. (2003. Appl. Organomet. Chem. 17, 881–882.], the SnIV atoms are able to formally complete their coordination by addition of dimethyl sulfoxide (DMSO molecules provided by the reaction medium, affording the title complex, [Sn2(C6H56(C2O4(C2H6OS2]. The SnIV atoms are then pentacoordinated, with a common trans trigonal–bipyramidal arrangement. The asymmetric unit contains one half-molecule, which is completed by inversion symmetry in space group type C2/c. The inversion centre is placed at the mid-point of the central bis-monodentate oxalate dianion, C2O42−, which bridges the [(SnPh3(DMSO] moieties. The molecule crystallizes as a disordered system, with two phenyl rings disordered by rotation about their Sn—C bonds, while the DMSO molecule is split over two positions due to a tetrahedral inversion at the S atom. All disordered parts were refined with occupancies fixed of 0.5.

  19. Structure of Chloro bis(1,10-phenanthroline)Cobalt(II) Complex, [Co(phen)2(Cl)(H2O)]Cl · 2H2O

    International Nuclear Information System (INIS)

    Zhao, Pu Su; Lu, Lu De; Jian, Fang Fang

    2003-01-01

    The crystal structure of [Co(phen) 2 (Cl)(H 2 O)] Cl · 2H 2 O(phen=1,10-phenanthroline) has been determined by X-ray crystallography. It crystallizes in the triclinic system, space group P 1 , with lattice parameters a=9.662(2), b=11.445(1), c=13.037(2)A, α=64.02(1), β=86.364(9), γ=78.58(2) .deg., and Z=2. The coordinated cations contain a six-coordinated cobalt atom chelated by two phen ligands and one chloride anion and one water ligand in cis arrangement. In addition to the chloride coordinated to the cobalt, there are one chloride ion and four water molecules which complete the crystal structure. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds, within which exists the strongest hydrogen bond (O(3)-O(4)=2.33A). The intermolecular hydrogen bonds connect the [Co(phen) 2 (Cl)(H 2 O)] 1+ , H 2 O moieties and chloride ion

  20. Nd(BrO3)3-Yb(BrO3)3-H2O and Nd2(SeO4)3-Yb2(SeO4)3-H2O systems at 25 deg C

    International Nuclear Information System (INIS)

    Serebrennikov, V.V.; Batyreva, V.A.; Tsybukova, T.N.

    1981-01-01

    Using the methods of isothermal solubility the Nd(BrO 3 ) 3 - Yb(BrO 3 ) 3 -H 2 O and Nd 2 (SeO 4 ) 3 -Yb 2 (SeO 4 ) 3 -H 2 O systems are studied at 25 deg C. The compositions of the solid phases are determined by the method of ''residues''. The formation of two series of solid solutions in both systems is established. Besides, there is a crystallization region of Nd 2 (SeO 4 ) 3 in the system of selenates. The solubility diagrams of the systems are presented [ru