Synthesis, vibrational and optical properties of a new three-layered organic-inorganic perovskite (C4H9NH3)4Pb3I4Br6

International Nuclear Information System (INIS)

Dammak, T.; Elleuch, S.; Bougzhala, H.; Mlayah, A.; Chtourou, R.; Abid, Y.

2009-01-01

An organic-inorganic hybrid perovskite (C 4 H 9 NH 3 ) 4 Pb 3 I 4 Br 6 was synthesized and studied by X-ray diffraction, Raman and infrared spectroscopies, optical transmission and photoluminescence. The title compound, abbreviated (C 4 ) 4 Pb 3 I 4 Br 6 , crystallises in a periodic two-dimensional multilayer structure with P2 1 /a space group. The structure is built up from alternating inorganic and organic layers. Each inorganic layer consists of three sheets of PbX 6 (X=I, Br) octahedra. Raman and infrared spectra of the title compound were recorded in the 100-3500 and 400-4000 cm -1 frequency ranges, respectively. An assignment of the observed vibration modes is reported. Optical transmission measurements, performed on thin films of (C 4 ) 4 Pb 3 I 4 Br 6 , revealed two absorption bands at 474 and 508 nm. Photoluminescence measurements have shown a green emission peak at 519 nm.

Designing Z-scheme 2D-C{sub 3}N{sub 4}/Ag{sub 3}VO{sub 4} hybrid structures for improved photocatalysis and photocatalytic mechanism insight

Energy Technology Data Exchange (ETDEWEB)

She, Xiaojie; Yi, Jianjian; Xu, Yuanguo; Huang, Liying; Ji, Haiyan; Xu, Hui; Li, Huaming [School of the Environment and Safety Engineering, Institute for Energy Research, Jiangsu University, Zhenjiang 212013 (China); Song, Yanhua [School of Environmental and Chemical, Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China)

2017-06-15

The two-dimensional oxygen-modified g-C{sub 3}N{sub 4} nanosheets-loaded Ag{sub 3}VO{sub 4} (2D-C{sub 3}N{sub 4}/Ag{sub 3}VO{sub 4}) photocatalysts were synthesized successfully via a facile in situ deposition method. The comprehensive characterizations were employed to characterize the morphologies, structures, chemical states, optical and electronic properties and photocatalytic performances of the samples. The 20% 2D-C{sub 3}N{sub 4}/Ag{sub 3}VO{sub 4} showed the best photocatalytic activity on the degradation of RhB and BPA. The enhanced photocatalytic activity is ascribed to the effective electron-hole separation efficiency and the larger specific surface area. The photogenerated electrons and holes can quickly separate by Z-scheme passageway in composite. Through ESR analysis, the photocatalytic mechanism was also researched in detail. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Ternary g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} nanocomposites: Novel magnetically separable visible-light-driven photocatalysts for efficiently degradation of dye pollutants

Energy Technology Data Exchange (ETDEWEB)

Mousavi, Mitra; Habibi-Yangjeh, Aziz, E-mail: ahabibi@uma.ac.ir

2015-08-01

In this work, novel magnetically separable g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} nanocomposites were successfully prepared by anchoring Fe{sub 3}O{sub 4} and Ag{sub 3}VO{sub 4} on surface of the g-C{sub 3}N{sub 4} sheets. The prepared samples were fairly characterized using X-ray diffraction, energy dispersive analysis of X-rays, scanning electron microscopy, transmission electron microscopy, UV–vis diffuse reflectance spectroscopy, photoluminescence spectroscopy, thermogravimetric analysis, and vibrating sample magnetometry techniques. Compared with the g-C{sub 3}N{sub 4} and g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4} samples, the g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} nanocomposites displayed higher photocatalytic activity for degradation of rhodamine B under visible-light irradiation. Photocatalytic activity of the nanocomposite with 60% of Ag{sub 3}VO{sub 4} was about 14, 8, and 3-fold higher than those of the g-C{sub 3}N{sub 4}, g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}, and Ag{sub 3}VO{sub 4} samples, respectively. Furthermore, influence of refluxing time, calcination temperature, and scavengers of the reactive species on the degradation activity was investigated in detail and the results were discussed. The enhanced photocatalytic activity of the nanocomposites was attributed to efficiently separation of the charge carriers and their increased visible-light harvesting ability. - Graphical abstract: Display Omitted - Highlights: • g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} was prepared as ternary novel visible-light-driven photocatalyst. • Among the prepared samples, g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} (60%) has the best activity. • The activity was related to efficiently generation and separation of charge carriers. • The photocatalyst was magnetically separated from the treated solution.

Growth and optical, magnetic and transport properties of (C4H9NH3)2MCl4 organic-inorganic hybrid films (M = Cu, Sn)

Science.gov (United States)

Aruta, C.; Licci, F.; Zappettini, A.; Bolzoni, F.; Rastelli, F.; Ferro, P.; Besagni, T.

2005-10-01

Films of (C4H9NH3)2MCl4 (M=Cu and Sn) organic-inorganic hybrid perovskites have been deposited in-situ by a single-source thermal ablation technique on glassy, crystalline and polymeric substrates. Independently of the substrate, the films were well crystallized, c-axis oriented and with a narrow rocking curve of the (0010) reflection (full width at half maximum photoluminescence spectra of typical (C4H9NH3)2SnCl4 films at 12 K had a broad yellow band, which did not correspond to any significant peak in the absorption spectrum. The films were semiconducting down to 250 K or, in the case of the best samples, down to 200 K and became insulating at lower temperature. The resistivity of the best films was (5±1) 104 Ω cm at 300 K, and the energy gap was 1.11 eV.

Order-disorder phase transition in the peroxidovanadium complex NH4[VO(O2)2(NH3)].

Science.gov (United States)

Schwendt, Peter; Gyepes, Róbert; Chrappová, Jana; Němec, Ivan; Vaněk, Přemysl

2018-07-05

Complex NH 4 [VO(O 2 ) 2 (NH 3 )] (1) undergoes an order-disorder phase transition at T c ~258K. This transition is accompanied by change in the space group of the orthorhombic lattice and also by significant structural rearrangements of the constituent molecules, which are pertinent mostly to their NH 4 + ions and their ammonia ligands. The low-temperature solid state IR and Raman spectra of 1 were corroborated by solid-state computations that employed Gaussian functions as the basis set. Results of these computations yielded excellent agreement with experimental data. On the curves of temperature dependence of vibrational modes, the phase transition is expressed by an abrupt change of the slope above T c . Copyright © 2018 Elsevier B.V. All rights reserved.

Solid-State Synthesis and Structure of the Enigmatic Ammonium Octaborate: (NH4)2[B7O9(OH)5]·3/4B(OH)3·5/4H2O.

Science.gov (United States)

Neiner, Doinita; Sevryugina, Yulia V; Schubert, David M

2016-09-06

The compound known since the 19th century as ammonium octaborate was structurally characterized revealing the ammonium salt of the ribbon isomer of the heptaborate anion, [B7O9(OH)5](2-), with boric acid and water molecules. Of composition (NH4)2B7.75O12.63·4.88H2O, it approximates the classical ammonium octaborate composition (NH4)2B8O13·6H2O and has the structural formula {(NH4)2[B7O9(OH)5]}4·3B(OH)3·5H2O. It spontaneously forms at room temperature in solid-state mixtures of ammonium tetraborate and ammonium pentaborate. It crystallizes in the monoclinic space group P21/c with a = 11.4137(2) Å, b = 11.8877(2) Å, c = 23.4459(3) Å, β = 90.092(1)°, V = 3181.19(8) Å(3), and Z = 2 and contains well-ordered ammonium cations and [B7O9(OH)5](2-) anions and disordered B(OH)3 and H2O molecules linked by extensive H bonding. Expeditious solid-state formation of the heptaborate anion under ambient conditions has important implications for development of practical syntheses of industrially useful borates.

A liquid-based eutectic system: LiBH4·NH 3-nNH3BH3 with high dehydrogenation capacity at moderate temperature

KAUST Repository

Tan, Yingbin

2011-01-01

A novel eutectic hydrogen storage system, LiBH4·NH 3-nNH3BH3, which exists in a liquid state at room temperature, was synthesized through a simple mixing of LiBH 4·NH3 and NH3BH3 (AB). In the temperature range of 90-110 °C, the eutectic system showed significantly improved dehydrogenation properties compared to the neat AB and LiBH 4·NH3 alone. For example, in the case of the LiBH4·NH3/AB with a mole ratio of 1:3, over 8 wt.% hydrogen could be released at 90 °C within 4 h, while only 5 wt.% hydrogen released from the neat AB at the same conditions. Through a series of experiments it has been demonstrated that the hydrogen release of the new system is resulted from an interaction of AB and the NH3 group in the LiBH4·NH3, in which LiBH4 works as a carrier of ammonia and plays a crucial role in promoting the interaction between the NH3 group and AB. The enhanced dehydrogenation of LiBH 4·NH3/AB may result from the polar liquid state reaction environments and the initially promoted formation of the diammoniate of diborane, which will facilitate the B-H⋯H-N interaction between LiBH4·NH3 and AB. Kinetics analysis revealed that the rate-controlling steps of the dehydrogenation process are three-dimensional diffusion of hydrogen at temperatures ranging from 90 to 110 °C. This journal is © The Royal Society of Chemistry.

Synthesis and reactivity of bis(tetramethylcyclopentadienyl) yttrium metallocenes including the reduction of Me(3)SiN(3) to [(Me(3)Si)(2)N](-) with [(C(5)Me(4)H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N(2)).

Science.gov (United States)

Lorenz, Sara E; Schmiege, Benjamin M; Lee, David S; Ziller, Joseph W; Evans, William J

2010-07-19

The metallocene precursors needed to provide the tetramethylcyclopentadienyl yttrium complexes (C(5)Me(4)H)(3)Y, [(C(5)Me(4)H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N(2)), and [(C(5)Me(4)H)(2)Y(mu-H)](2) for reactivity studies have been synthesized and fully characterized, and their reaction chemistry has led to an unexpected conversion of an azide to an amide. (C(5)Me(4)H)(2)Y(mu-Cl)(2)K(THF)(x), 1, synthesized from YCl(3) and KC(5)Me(4)H reacts with allylmagnesium chloride to make (C(5)Me(4)H)(2)Y(eta(3)-C(3)H(5)), 2, which is converted to [(C(5)Me(4)H)(2)Y][(mu-Ph)(2)BPh(2)], 3, with [Et(3)NH][BPh(4)]. Complex 3 reacts with KC(5)Me(4)H to form (C(5)Me(4)H)(3)Y, 4. The reduced dinitrogen complex, [(C(5)Me(4)H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N(2)), 5, can be synthesized from either [(C(5)Me(4)H)(2)Y](2)[(mu-Ph)(2)BPh(2)], 3, or (C(5)Me(4)H)(3)Y, 4, with potassium graphite under a dinitrogen atmosphere. The (15)N labeled analogue, [(C(5)Me(4)H)(2)Y(THF)](2)(mu-eta(2):eta(2)-(15)N(2)), 5-(15)N, has also been prepared, and the (15)N NMR data have been compared to previously characterized reduced dinitrogen complexes. Complex 2 reacts with H(2) to form the corresponding hydride, [(C(5)Me(4)H)(2)Y(mu-H)](2), 6. Complex 5 displays similar reactivity to that of the analogous [(C(5)Me(4)H)(2)Ln(THF)](2)(mu-eta(2):eta(2)-N(2)) complexes (Ln = La, Lu), with substrates such as phenazine, anthracene, and CO(2). In addition, 5 reduces Me(3)SiN(3) to form (C(5)Me(4)H)(2)Y[N(SiMe(3))(2)], 7.

Novel ternary g-C3N4/Ag3VO4/AgBr nanocomposites with excellent visible-light-driven photocatalytic performance for environmental applications

Science.gov (United States)

Barzegar, Javid; Habibi-Yangjeh, Aziz; Akhundi, Anise; Vadivel, S.

2018-04-01

Novel visible-light-induced photocatalysts were fabricated by integration of Ag3VO4 and AgBr semiconductors with graphitic carbon nitride (g-C3N4) through a facile refluxing method. The fabricated photocatalysts were extensively characterized by XRD, EDX, SEM, TEM, FT-IR, UV-vis DRS, BET, TGA, and PL instruments. The photocatalytic performance of these samples was studied by degradations of three dye contaminants under visible-light exposure. Among the ternary photocatalysts, the g-C3N4/Ag3VO4/AgBr (10%) nanocomposite displayed the maximum activity for RhB degradation with rate constant of 1366.6 × 10-4 min-1, which is 116, 7.23, and 38.5 times as high as those of the g-C3N4, g-C3N4/AgBr (10%), and g-C3N4/Ag3VO4 (30%) photocatalysts, respectively. The effects of synthesis time and calcination temperature were also investigated and discussed. Furthermore, according to the trapping experiments, it was found that superoxide anion radicals were the predominant reactive species in this system. Finally, the ternary photocatalyst displayed superlative activity in removal of the contaminants under visible-light exposure, displaying great potential of this ternary photocatalyst for environmental remediation, because of a facile synthesis route and outstanding photocatalytic performance.

[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

Selective Oxidation of Alcohols Using Photoactive VO@g‑C3N4

Data.gov (United States)

U.S. Environmental Protection Agency — A photoactive VO@g-C3N4 catalyst has been developed for the selective oxidation of alcohols to the corresponding aldehydes and ketones. The visible light mediated...

Response to Comment on "Synthesis and characterization of the pentazolate anion cyclo-N5- in (N5)6(H3O)3(NH4)4Cl".

Science.gov (United States)

Jiang, Chao; Zhang, Lei; Sun, Chengguo; Zhang, Chong; Yang, Chen; Chen, Jun; Hu, Bingcheng

2018-03-16

Huang and Xu argue that the cyclo -N 5 - ion in (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl we described in our report is theoretically unfavorable and is instead protonated. Their conclusion is invalid, as they use an improper method to assess the proton transfer in a solid crystal structure. We present an in-depth experimental and theoretical analysis of (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl that supports the results in the original paper. Copyright © 2018, American Association for the Advancement of Science.

Selective oxidation of alcohols using photoactive VO@g-C3N4.

Science.gov (United States)

A photoactive VO@g-C3N4 catalyst has been developed for the selective oxidation of alcohols to the corresponding aldehydes and ketones. The visible light mediated activity of the catalyst could be attributed to photoactive graphitic carbon nitrides surface.

1H and 2H NMR relaxation study on the phase transitions of (NH4)3H(SO4)2 and (ND4)3D(SO4)2 single crystals

International Nuclear Information System (INIS)

Lim, Ae Ran; Jeong, Se-Young

2006-01-01

T 1 , T 1ρ and T 2 for the 1 H and 2 H nuclei in (NH 4 ) 3 H(SO 4 ) 2 and (ND 4 ) 3 D(SO 4 ) 2 single crystals grown using the slow evaporation method were measured for phases I, II, III, IV and V. The 1 H T 1 , T 1ρ , and T 2 values were found to exhibit different trends in phases II and III: T 1 , T 1ρ and T 2 for 1 H do not change significantly near the phase transition at 265 K, whereas near 413 K they change discontinuously. We conclude that the NH 4 + and H(SO 4 ) 2 - ions do not play an important role in the III-II phase transition, but do play important roles in the II-I phase transition. The liquid-like nature of the 1 H T 1ρ and T 2 above 413 K is indicative of the destruction and reconstruction of hydrogen bonds. Moreover, the phase transitions of the (NH 4 ) 3 H(SO 4 ) 2 crystal are accompanied by changes in the molecular motion of the (NH 4 ) + ions. The variations with temperature of the 2 H T 1 and T 2 of (ND 4 ) 3 D(SO 4 ) 2 crystals are not similar to those observed for the 1 H T 1 and T 2 . Our comparison of the results for (NH 4 ) 3 H(SO 4 ) 2 and (ND 4 ) 3 D(SO 4 ) 2 crystals indicates the following: the 1 H T 1ρ and T 2 of the (NH 4 ) + and H(SO 4 ) 2 - ions above T C1 are characteristic of fast, liquid-like motion, which is not the case for (ND 4 ) 3 D(SO 4 ) 2 ; and the 2 H T 1 of D(SO 4 ) 2 - in (ND 4 ) 3 D(SO 4 ) 2 is longer than the 2 H T 1 of (ND 4 ) + in contrast to the results for (NH 4 ) 3 H(SO 4 ) 2 crystals

A Layered Solution Crystal Growth Technique and the Crystal Structure of (C 6H 5C 2H 4NH 3) 2PbCl 4

Science.gov (United States)

Mitzi, D. B.

1999-07-01

Single crystals of the organic-inorganic perovskite (C6H5C2H4NH3)2PbCl4 have been grown at room temperature using a layered solution approach. The bottom solution layer, contained within a long straight tube, consists of PbCl2 dissolved in concentrated aqueous HCl. A less dense layer of methanol is carefully placed on top of the HCl/PbCl2 solution using a syringe. Finally, a stoichiometric quantity of C6H5C2H4NH2 (relative to the PbCl2) is added to the top of the column. As the layers slowly diffuse together, well-formed crystals of (C6H5C2H4NH3)2PbCl4 appear near the interface between the HCl/PbCl2 and C6H5C2H4NH2 solutions. The thick, plate-like crystals are well suited for X-ray crystallography studies. Room temperature intensity data were refined using a triclinic (Poverline1) cell (a=11.1463(3) Å, b=11.2181(3) Å, c=17.6966(5) Å, α= 99.173(1)°, β=104.634(1)°, γ=89.999(1)°, V=2111.8(1) Å3, Z=4, Rf/Rw=0.031/0.044). The organic-inorganic layered perovskite structure features well-ordered sheets of corner-sharing distorted PbCl6 octahedra separated by bilayers of phenethylammonium cations. Tilting and rotation of the PbCl6 octahedra within the perovskite sheets, coupled with organic cation ordering, leads to the unusual in-sheet 2ap×2ap superstructure, where ap is the lattice constant for the ideal cubic perovskite.

X-ray and NQR studies of bromoindate(III) complexes. [C{sub 2}H{sub 5}NH{sub 3}]{sub 4}InBr{sub 7}, [C(NH{sub 2}){sub 3}]{sub 3}InBr{sub 6}, and [H{sub 3}NCH{sub 2}C(CH{sub 3}){sub 2}CH{sub 2}NH{sub 3}]InBr{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Iwakiri, Takeharu; Ishihara, Hideta [Saga Univ. (Japan). Faculty of Culture and Education; Terao, Hiromitsu [Tokushima Univ. (Japan). Faculty of Integrated Arts and Sciences; Lork, Enno; Gesing, Thorsten M. [Bremen Univ. (Germany). Inst. of Inorganic Chemistry and Crystallography

2017-03-01

The crystal structures of [C{sub 2}H{sub 5}NH{sub 3}]{sub 4}InBr{sub 7}(1), [C(NH{sub 2}){sub 3}]{sub 3}InBr{sub 6}(2), and [H{sub 3}NCH{sub 2}C(CH{sub 3}){sub 2}CH{sub 2}NH{sub 3}]InBr{sub 5}(3) were determined at 100(2) K: monoclinic, P2{sub 1}/n, a=1061.94(3), b=1186.40(4), c=2007.88(7) pm, β= 104.575(1) , Z=4 for 1; monoclinic, C2/c, a=3128.81(12), b=878.42(3), c=2816.50(10) pm, β=92.1320(10) , Z=16 for 2; orthorhombic, P2{sub 1}2{sub 1}2{sub 1}, a=1250.33(5), b=1391.46(6), c=2503.22(9) pm, Z=4 for 3. The structure of 1 contains an isolated octahedral [InBr{sub 6}]{sup 3-} ion and a Br{sup -} ion. The structure of 2 contains three different isolated octahedral [InBr{sub 6}]{sup 3-} ions. The structure of 3 has a corner-shared double-octahedral [In{sub 2}Br{sub 11}]{sup 5-} ion and an isolated tetrahedral [InBr{sub 4}]{sup -} ion. The {sup 81}Br nuclear quadrupole resonance (NQR) lines of the terminal Br atoms of the compounds are widely spread in frequency, and some of them show unusual positive temperature dependence. These observations manifest the N-H..Br-In hydrogen bond networks developed between the cations and anions to stabilize the crystal structures. The {sup 81}Br NQR and differential thermal analysis (DTA) measurements have revealed the occurrence of unique phase transitions in 1 and 3. When the bond angles were estimated from the electric field gradient (EFG) directions calculated by the molecular orbital (MO) methods, accurate values were obtained for [InBr{sub 6}]{sup 3-} of 1 and for [In{sub 2}Br{sub 11}]{sup 5-} and [InBr{sub 4}]{sup -} of 3, except for several exceptions in those for the latter two ions. On the other hand, the calculations of {sup 81}Br NQR frequencies have produced up to 1.4 times higher values than the observed ones.

Synthesis and structural characterization of two cobalt phosphites: 1-D (H3NC6H4NH3)Co(HPO3)2 and 2-D (NH4)2Co2(HPo3)3

International Nuclear Information System (INIS)

Cheng, C.-C.; Chang, W.-K.; Chiang, R.-K.; Wang, S.-L.

2010-01-01

Two new cobalt phosphites, (H 3 NC 6 H 4 NH 3 )Co(HPO 3 ) 2 (1) and (NH 4 ) 2 Co 2 (HPO 3 ) 3 (2), have been synthesized and characterized by single-crystal X-ray diffraction. All the cobalt atoms of 1 are in tetrahedral CoO 4 coordination. The structure of 1 comprises twisted square chains of four-rings, which contain alternating vertex-shared CoO 4 tetrahedra and HPO 3 groups. These chains are interlinked with trans-1,4-diaminocyclohexane cations by hydrogen bonds. The 2-D structure of 2 comprises anionic complex sheets with ammonium cations present between them. An anionic complex sheet contains three-deck phosphite units, which are interconnected by Co 2 O 9 to form complex layers. Magnetic susceptibility measurements of 1 and 2 showed that they have a weak antiferromagnetic interaction. - Graphical abstract: The 2-D structure of (NH 4 ) 2 Co 2 (HPO 3 ) 3 comprises anionic complex sheets with ammonium cations present between them. An anionic complex sheet contains three-deck phosphite units, which are interconnected by dimmeric Co 2 O 9 to form complex layers.

Comparative genomic and physiological analysis of nutrient response to NH4+, NH4+:NO3- and NO3- in barley seedlings.

Science.gov (United States)

Lopes, Marta S; Araus, José L

2008-09-01

Long-term differences in photosynthesis, respiration and growth of plants receiving distinct nitrogen (N) sources imply that N metabolism generates signals that regulate metabolism and development. The molecular basis of these signals remains unclear. Here we studied the gene expression profiles of barley (Hordeum vulgare L. cv. Graphic) seedlings fertilized either with ammonium (NH4+), with ammonium and nitrate (NH4+:NO3-), or with nitrate (NO3-) only. Our transcriptome analysis after 48 h of growth in these N sources showed major changes in the expression of genes involved in N metabolism (nitrate reductase), signalling (protein kinases and protein phosphatases), photosynthesis (chlorophyll a/b-binding protein and a PsbQ domain), where increases in NO3- as compared with NH4+ were observed. Moreover, NH4+ assimilation induced genes participating in C and sugars metabolism (phosphoglycerate kinase, glucosyltranferase and galactokinase), respiration (cytochrome c oxidase), protein fate (heat shock proteins) and development (MTN3-like protein). These changes in gene expression could well explain the long-term growth depression observed in NH4+ plants. Even if a few genes participating in protein fate (proteases) and development (OsNAC5) were upregulated in NH4+ as compared with NH4+:NO3-, the general pattern of expression was quite similar between these two N sources. Taken together, these results indicated that other downstream mechanisms should be involved in the synergetic long-term response of NH4+:NO3-.

Mechanism of plutonium metal dissolution in HNO3-HF-N2H4 solution

International Nuclear Information System (INIS)

Karraker, D.G.

1985-01-01

An oxidation-reduction balance of the products of the dissolution of plutonium metal and alloys in HNO 3 -HF-N 2 H 4 solution shows that the major reactions during dissolution are the reduction of nitrate to NH 3 , N 2 and N 2 O by the metal, and the oxidation of H free radicals to NH 3 by N 2 H 4 . Reactions between HNO 3 and N 2 H 4 produce varying amounts of HN 3 . The reaction rate is greater for delta-Pu than alpha-Pu, and is increased by higher concentrations of HF and HNO 3 . The low yield of reduced nitrogen species indicates that nitrate is reduced on the metal surface without producing a significant concentration of species that react with N 2 H 4 . It is conjectured that intermediate Pu valences and electron transfer within the metal are involved. 7 refs., 3 tabs

Lead-free Perovskite Materials (NH4 )3 Sb2 Ix Br9-x.

Science.gov (United States)

Zuo, Chuantian; Ding, Liming

2017-06-01

A family of perovskite light absorbers (NH 4 ) 3 Sb 2 I x Br 9-x (0≤x≤9) was prepared. These materials show good solubility in ethanol, a low-cost, hypotoxic, and environmentally friendly solvent. The light absorption of (NH 4 ) 3 Sb 2 I x Br 9-x films can be tuned by adjusting I and Br content. The absorption onset for (NH 4 ) 3 Sb 2 I x Br 9-x films changes from 558 nm to 453 nm as x changes from 9 to 0. (NH 4 ) 3 Sb 2 I 9 single crystals were prepared, exhibiting a hole mobility of 4.8 cm 2  V -1  s -1 and an electron mobility of 12.3 cm 2  V -1  s -1 . (NH 4 ) 3 Sb 2 I 9 solar cells gave an open-circuit voltage of 1.03 V and a power conversion efficiency of 0.51 %. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

[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.

NH3 and NH4+ permeability in aquaporin-expressing Xenopus oocytes

DEFF Research Database (Denmark)

Holm, Lars M.; Jahn, Thomas Paul; Møller, Anders Laurell Blom

2005-01-01

We have shown recently, in a yeast expression system, that some aquaporins are permeable to ammonia. In the present study, we expressed the mammalian aquaporins AQP8, AQQP9, AQP3, AQP1 and a plant aquaporin TIP2;1 in Xenopus oocytes to study the transport of ammonia (NH3) and ammonium (NH4+) under...... inwards currents carried by NH4+. This conductivity increased as a sigmoid function of external [NH3]: for AQP8 at a bath pH (pH(e)) of 6.5, the conductance was abolished, at pH(e) 7.4 it was half maximal and at pH(e) 7.8 it saturated. NY4+ influx was associated with oocyte swelling. In comparison, native...... oocytes as well as AQP1 and tip2;1-expressing oocytes showed small currents that were associated with small and even negative volume changes. We conclude that AQP8, AQP9, AQP3, and TIP2;1, apart from being water channels, also support significant fluxes of NH3. These aquaporins could support NH4...

Synthesis, vibrational and optical properties of a new three-layered organic-inorganic perovskite (C{sub 4}H{sub 9}NH{sub 3}){sub 4}Pb{sub 3}I{sub 4}Br{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Dammak, T., E-mail: thameurlpa@yahoo.f [Laboratoire de Physique appliquee (LPA), Faculte des Sciences de Sfax, 3018, BP 802 (Tunisia); Elleuch, S. [Laboratoire de Physique appliquee (LPA), Faculte des Sciences de Sfax, 3018, BP 802 (Tunisia); Bougzhala, H. [Laboratoire de cristallochimie et des materiaux, Faculte des Sciences de Tunis (Tunisia); Mlayah, A. [Centre d' Elaboration de Materiaux et d' Etudes Structurales, CNRS-Universite Paul Sabatier, 29 rue Jeanne Marvig, 31055 Toulouse, Cedex 4 (France); Chtourou, R. [Centre de Recherche et des Technologies de l' Energie CRTEn BP. 95, Hammam-Lif 2050, Laboratoire de Photovoltaique et de Semiconducteur (Tunisia); Abid, Y. [Laboratoire de Physique appliquee (LPA), Faculte des Sciences de Sfax, 3018, BP 802 (Tunisia)

2009-09-15

An organic-inorganic hybrid perovskite (C{sub 4}H{sub 9}NH{sub 3}){sub 4}Pb{sub 3}I{sub 4}Br{sub 6} was synthesized and studied by X-ray diffraction, Raman and infrared spectroscopies, optical transmission and photoluminescence. The title compound, abbreviated (C{sub 4}){sub 4}Pb{sub 3}I{sub 4}Br{sub 6}, crystallises in a periodic two-dimensional multilayer structure with P2{sub 1}/a space group. The structure is built up from alternating inorganic and organic layers. Each inorganic layer consists of three sheets of PbX{sub 6} (X=I, Br) octahedra. Raman and infrared spectra of the title compound were recorded in the 100-3500 and 400-4000 cm{sup -1} frequency ranges, respectively. An assignment of the observed vibration modes is reported. Optical transmission measurements, performed on thin films of (C{sub 4}){sub 4}Pb{sub 3}I{sub 4}Br{sub 6}, revealed two absorption bands at 474 and 508 nm. Photoluminescence measurements have shown a green emission peak at 519 nm.

Solvent-Dependent Delamination, Restacking, and Ferroelectric Behavior in a New Charge-Separated Layered Compound: [NH4 ][Ag3 (C9 H5 NO4 S)2 (C13 H14 N2 )2 ]⋅8 H2 O.

Science.gov (United States)

Sushrutha, Sringeri Ramesh; Mohana, Shivanna; Pal, Somnath; Natarajan, Srinivasan

2017-01-03

A new anionic coordination polymer, [NH 4 ][Ag 3 (C 9 H 5 NO 4 S) 2 (C 13 H 14 N 2 ) 2 ]⋅8 H 2 O, with a two-dimensional structure, has been synthesized by a reaction between silver nitrate, 8-hydroxyquinoline-5-sulfonic acid (HQS), and 4,4'-trimethylene dipyridine (TMDP). The compound stabilizes in a noncentrosymmetric space group, and the lattice water molecules and the charge-compensating [NH 4 ] + group occupy the inter-lamellar spaces. The lattice water molecules can be fully removed and reinserted, which is accompanied by a crystalline-amorphous-crystalline transformation. This transformation resembles the collapse/delamination and restacking of the layers. To the best of our knowledge, this is the first observation of delamination and restacking in an inorganic coordination polymer that contains silver. The presence of a natural dipole (the anionic framework and cationic ammonium ions) along with the noncentrosymmetric space group gives rise to the room-temperature ferroelectric behavior of the compound. The ferroelectric behavior is also water-dependent and exhibits a ferroelectric-paraelectric transformation. The temperature-dependent dielectric measurements indicate that the ferroelectric/ paraelectric transformation occurs at 320 K. This transformation has also been investigated by using in-situ IR spectroscopy and PXRD studies. The second-harmonic generation (SHG) study indicated values that are comparable to some of the known SHG solids, such as potassium dihydrogen phosphate (KDP) and urea. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A novel inorganic precipitation-peptization method for VO2 sol and VO2 nanoparticles preparation: Synthesis, characterization and mechanism.

Science.gov (United States)

Li, Yao; Jiang, Peng; Xiang, Wei; Ran, Fanyong; Cao, Wenbin

2016-01-15

In this paper, a simple, safe and cost-saving precipitation-peptization method was proposed to prepare VO2 sol by using inorganic VOSO4-NH3⋅H2O-H2O2 reactants system in air under room temperature. In this process, VOSO4 was firstly precipitated to form VO(OH)2, then monometallic species of VO(O2)(OH)(-) were formed through the coordination between VO(OH)2 and H2O2. The rearrangement of VO(O2)(OH)(-) in a nonplanar pattern and intermolecular condensation reactions result in multinuclear species. Finally, VO2 sol is prepared through the condensation reactions between the multinuclear species. After drying the obtained sol at 40°C, VO2 xerogel exhibiting monoclinic crystal structure with the space group of C2/m was prepared. The crystal structure of VO2 nanoparticles was transferred to monoclinic crystal structure with the space group of P21/c (VO2(M)) by annealing the xerogel at 550°C. Both XRD and TEM analysis indicated that the nanoparticles possess good crystallinity with crystallite size of 34.5nm as estimated by Scherrer's method. These results suggest that the VO2 sol has been prepared successfully through the proposed simple method. Copyright © 2015 Elsevier Inc. All rights reserved.

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.

Effective identification of (NH4)2CO3 and NH4HCO3 concentrations in NaHCO3 regeneration process from desulfurized waste.

Science.gov (United States)

Govindan, Muthuraman; Karunakaran, Kannan; Nallasamy, Palanisami; Moon, Il Shik

2015-01-01

This work describes the quantitative analysis of (NH4)2CO3 and NH4HCO3 using a simple solution phase titration method. Back titration results at various (NH4)2CO3-NH4HCO3 ratios demonstrated that 6:4 ratio caused a 3% error in their differentiation, but very high errors were found at other ratios. A similar trend was observed for the double indicator method, especially when strong acid HCl was used as a titrant, where still less errors (2.5%) at a middle ratio of (NH4)2CO3-NH4HCO3 was found. Remaining ratios with low (NH4)2CO3 (2:8, 4:6) show high +ve error (found concentration is less) and high (NH4)2CO3 (7:3, 8:2, and 9:1) show high -ve error (found concentration is higher) and vice versa for NH4HCO3. In replacement titration using Na2SO4, at both higher end ratios of (NH4)2CO3-NH4HCO3 (2:8 and 9:1), both -ve and +ve errors were minimized to 75% by partial equilibrium arrest between (NH4)2CO3 and NH2COONH4, instead of more than 100% observed in back titration and only double indicator methods. In the presence of (NH4)2SO4 both -ve and +ve error% are completely reduced to 3±1 at ratios 2:8, 4:6, and 6:4 of (NH4)2CO3-NH4HCO3, which demonstrates that the equilibrium transformation between NH2COONH4 and (NH4)2CO3 is completely controlled. The titration conducted at lower temperature (5 °C) in the presence of (NH4)2SO4 at higher ratios of (NH4)2CO3-NH4HCO3 (7:3, 8:2,and 9:1) shows complete minimization of both -ve and +ve errors to 2±1%, which explains the complete arresting of equilibrium transformation. Finally, the developed method shows 2±1% error in differentiation of CO3(2-) and HCO3(-) in the regeneration process of NaHCO3 from crude desulfurized sample. The developed method is more promising to differentiate CO3(2-) and HCO3(-) in industrial applications. Copyright © 2014 Elsevier B.V. All rights reserved.

Optical spectroscopy of two-dimensional layered (C(6)H(5)C(2)H(4)-NH(3))(2)-PbI(4) perovskite.

Science.gov (United States)

Gauthron, K; Lauret, J-S; Doyennette, L; Lanty, G; Al Choueiry, A; Zhang, S J; Brehier, A; Largeau, L; Mauguin, O; Bloch, J; Deleporte, E

2010-03-15

We report on optical spectroscopy (photoluminescence and photoluminescence excitation) on two-dimensional self-organized layers of (C(6)H(5)C(2)H(4)-NH(3))(2)-PbI(4) perovskite. Temperature and excitation power dependance of the optical spectra gives a new insight into the excitonic and the phononic properties of this hybrid organic/inorganic semiconductor. In particular, exciton-phonon interaction is found to be more than one order of magnitude higher than in GaAs QWs. As a result, photoluminescence emission lines have to be interpreted in the framework of a polaron model.

A liquid-based eutectic system: LiBH4·NH 3-nNH3BH3 with high dehydrogenation capacity at moderate temperature

KAUST Repository

Tan, Yingbin; Guo, Yanhui; Li, Shaofeng; Sun, Weiwei; Zhu, Yihan; Li, Qi; Yu, Xuebin

2011-01-01

A novel eutectic hydrogen storage system, LiBH4·NH 3-nNH3BH3, which exists in a liquid state at room temperature, was synthesized through a simple mixing of LiBH 4·NH3 and NH3BH3 (AB). In the temperature range of 90-110 °C, the eutectic system

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.

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

Low Temperature Growth of In2O3and InN Nanocrystals on Si(111 via Chemical Vapour Deposition Based on the Sublimation of NH4Cl in In

Directory of Open Access Journals (Sweden)

Tsokkou Demetra

2009-01-01

Full Text Available Abstract Indium oxide (In2O3 nanocrystals (NCs have been obtained via atmospheric pressure, chemical vapour deposition (APCVD on Si(111 via the direct oxidation of In with Ar:10% O2at 1000 °C but also at temperatures as low as 500 °C by the sublimation of ammonium chloride (NH4Cl which is incorporated into the In under a gas flow of nitrogen (N2. Similarly InN NCs have also been obtained using sublimation of NH4Cl in a gas flow of NH3. During oxidation of In under a flow of O2the transfer of In into the gas stream is inhibited by the formation of In2O3around the In powder which breaks up only at high temperatures, i.e.T > 900 °C, thereby releasing In into the gas stream which can then react with O2leading to a high yield formation of isolated 500 nm In2O3octahedrons but also chains of these nanostructures. No such NCs were obtained by direct oxidation forT G < 900 °C. The incorporation of NH4Cl in the In leads to the sublimation of NH4Cl into NH3and HCl at around 338 °C which in turn produces an efficient dispersion and transfer of the whole In into the gas stream of N2where it reacts with HCl forming primarily InCl. The latter adsorbs onto the Si(111 where it reacts with H2O and O2leading to the formation of In2O3nanopyramids on Si(111. The rest of the InCl is carried downstream, where it solidifies at lower temperatures, and rapidly breaks down into metallic In upon exposure to H2O in the air. Upon carrying out the reaction of In with NH4Cl at 600 °C under NH3as opposed to N2, we obtain InN nanoparticles on Si(111 with an average diameter of 300 nm.

Pressure induced polymorphism in ammonium azide (NH{sub 4}N{sub 3})

Energy Technology Data Exchange (ETDEWEB)

Medvedev, S.A., E-mail: s.medvedev@mpic.de [Max-Planck-Institute for Chemistry, Postfach 3060, D-55020 Mainz (Germany); Institute fuer Anorganische und Analytische Chemie, Johannes Gutenberg-Universitaet, D-55099 Mainz (Germany); Eremets, M.I. [Max-Planck-Institute for Chemistry, Postfach 3060, D-55020 Mainz (Germany); Evers, J.; Klapoetke, T.M. [Energetic Materials Research, Ludwig-Maximilian University Munich (LMU), Butenandtstrasse 5-13(D), D-81377 Munich (Germany); Palasyuk, T. [Max-Planck-Institute for Chemistry, Postfach 3060, D-55020 Mainz (Germany); Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Trojan, I.A. [Max-Planck-Institute for Chemistry, Postfach 3060, D-55020 Mainz (Germany)

2011-07-28

Graphical abstract: Polymorph phase transition is observed in NH{sub 4}N{sub 3} at {approx}3 GPa by pressure dependent Raman studies. The strength of hydrogen bond appears to be modified at the phase transition as illustrated by dependence of N-H stretching frequency on pressure shown on figure. Highlights: {yields} Ammonium azide (NH{sub 4}N{sub 3}) studied at high pressures by Raman spectroscopy. {yields} Phase transition is observed at pressure {approx}3 GPa. {yields} Strength of hydrogen bond appears to be modified at the phase transition. {yields} NH{sub 4}N{sub 3} remain in molecular form up to pressures above 50 GPa. - Abstract: Pressure-dependent Raman spectroscopy studies reveal polymorph phase transition in simple molecular ionic crystal NH{sub 4}N{sub 3} at pressure {approx}3 GPa unobserved by recent abinitio evolutionary structure searches. Hydrogen bonding is spectroscopically evident in both low- and high-pressure phases. The strength of hydrogen bond appears to be modified at the phase transition: in the low-pressure phase NH{sub 4}N{sub 3} behaves as system with very strong hydrogen bonding whereas changes of spectra with pressure in the high-pressure phase are indicative of weak or medium-strength hydrogen bonds. The high pressure phase is most likely thermodynamically stable at least up to pressure {approx}55 GPa contradicting the abinitio studies predicting transformation of NH{sub 4}N{sub 3} to nonmolecular hydronitrogen solid at 36 GPa.

NH4+-NH3 removal from simulated wastewater using UV-TiO2 photocatalysis: effect of co-pollutants and pH.

Science.gov (United States)

Vohra, M S; Selimuzzaman, S M; Al-Suwaiyan, M S

2010-05-01

The main objective of the present study was to investigate the efficiency of titanium dioxide (TiO2) assisted photocatalytic degradation (PCD) process for the removal of ammonium-ammonia (NH4(+)-NH3) from the aqueous phase and in the presence of co-pollutants thiosulfate (S2O3(2-)) and p-cresol (C6H4CH3OH) under varying mixed conditions. For the NH4(+)-NH3 only PCD experiments, results showed higher NH4 -NH3 removal at pH 12 compared to pH 7 and 10. For the binary NH4(+)-NH3/S2O3(2-) studies the respective results indicated a significant lowering in NH4(+)-NH3 PCD in the presence of S2O32- at pH 7/12 whereas at pH 10 a marked increase in NH4(+)-NH3 removal transpired. A similar trend was noted for the p-cresol/NH4(+)-NH3 binary system. Comparing findings from the binary (NH4(+)-NH3/S2O3(2-) and p-cresol/NH4(+)-NH3) and tertiary (NH4(+)-NH3/S2O3(2-)/p-cresol) systems, at pH 10, showed fastest NH4(+)-NH3 removal transpiring for the tertiary system as compared to the binary systems, whereas both the binary systems indicated comparable NH4(+)-NH3 removal trends. The respective details have been discussed.

Thermodynamic modeling of NH_3-CO_2-SO_2-K_2SO_4-H_2O system for combined CO_2 and SO_2 capture using aqueous NH_3

International Nuclear Information System (INIS)

Qi, Guojie; Wang, Shujuan

2017-01-01

Highlights: • A new application of aqueous NH_3 based combined CO_2 and SO_2 process was proposed. • A thermodynamic model simulated the heat of absorption and the K_2SO_4 precipitation. • The CO_2 content can be regenerated in a stripper with lower heat of desorption. • The SO_2 content can be removed by K_2SO_4 precipitation from the lean NH_3 solvent. - Abstract: A new application of aqueous NH_3 based post-combustion CO_2 and SO_2 combined capture process was proposed to simultaneously capture CO_2 and SO_2, and remove sulfite by solid (K_2SO_4) precipitation method. The thermodynamic model of the NH_3-CO_2-SO_2-K_2SO_4-H_2O system for the combined CO_2 and SO_2 capture process was developed and validated in this work to analyze the heat of CO_2 and SO_2 absorption in the NH_3-CO_2-SO_2-H_2O system, and the K_2SO_4 precipitation characteristics in the NH_3-CO_2-SO_2-K_2SO_4-H_2O system. The average heat of CO_2 absorption in the NH_3-CO_2-H_2O system at 40 °C is around −73 kJ/mol CO_2 in 2.5 wt% NH_3 with CO_2 loading between 0.2 and 0.5 C/N. The average heat of SO_2 absorption in the NH_3-SO_2-H_2O system at 40 °C is around −120 kJ/mol SO_2 in 2.5 wt% NH_3 with SO_2 loading between 0 and 0.5 S/N. The average heat of CO_2 absorption in the NH_3-CO_2-SO_2-H_2O system at 40 °C is 77, 68, and 58 kJ/mol CO_2 in 2.5 wt% NH_3 with CO_2 loading between 0.2 and 0.5 C/N, when SO_2 loading is 0, 0.1, 0.2 S/N, respectively. The solubility of K_2SO_4 increases with temperature, CO_2 and SO_2 loadings, but decreases with NH_3 concentration in the CO_2 and SO_2 loaded aqueous NH_3. The thermodynamic evaluation indicates that the combined CO_2 and SO_2 capture process could employ the typical absorption/regeneration process to simultaneously capture CO_2 and SO_2 in an absorber, thermally desorb CO_2 in a stripper, and feasibly remove sulfite (oxidized to sulfate) content by precipitating K_2SO_4 from the lean NH_3 solvent after the lean/rich heat exchanger.

Keggin type polyoxometalate H4[αSiW12O40].nH2O as intercalant for hydrotalcite

Directory of Open Access Journals (Sweden)

Neza Rahayu Palapa

2017-06-01

Full Text Available The synthesis of hydrotalcite and polyoxometalate H4[αSiW12O40].nH2O with the ratio (2:1, (1:1, (1:2 and (1:3 has been done. The product of intercalation was characterized using FT-IR spectrophotometer, XRD, and TG-DTA. Polyoxometalate H4[αSiW12O40].nH2O intercalated layered double hydroxide was optimised to use as adsorbent Congo red dye. Characterization using FT-IR was not showing the optimal insertion process. The result using XRD characterization was showed successful of polyoxometalate H4[αSiW12O40].nH2O inserted layered double hydroxide with a ratio (1:1 which the basal spacing was expanded from 7,8 Ȧ to 9,81 Ȧ. Furthermore, the thermal analysis was performed using TG-DTA. The result show that the decomposition of polyoxometalate H4[αSiW12O40].nH2O intercalated  hydrotalcite with ratio (1:1 was occured at 80oC to 400oC with a loss of OH in the layer at 150oC to 220oC, and then the decomposition of the compound polyoxometalate H4[αSiW12O40].nH2O at 350oC to 420oC. Keywords: Hydrotalcite, Layered Double Hydroxide, Polyoxometalate, Intercalation

Preparation, characterization and activity evaluation of p-n junction photocatalyst p-CaFe2O4/n-Ag3VO4 under visible light irradiation

International Nuclear Information System (INIS)

Chen Shifu; Zhao Wei; Liu Wei; Zhang Huaye; Yu Xiaoling; Chen Yinghao

2009-01-01

p-n junction photocatalyst p-CaFe 2 O 4 /n-Ag 3 VO 4 was prepared by ball milling Ag 3 VO 4 in H 2 O doped with p-type CaFe 2 O 4 . The structural and optical properties of the photocatalyst were characterized by X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and UV-vis diffuse reflection spectrum (DRS). The photocatalytic activity was evaluated by photocatalytic degradation of methylene blue (MB) under visible light irradiation. The results showed that the photocatalytic activity of the p-CaFe 2 O 4 /n-Ag 3 VO 4 was higher than that of Ag 3 VO 4 . When the amount of doped p-CaFe 2 O 4 was 2.0 wt.% and the p-CaFe 2 O 4 /n-Ag 3 VO 4 was ball milled for 12 h, the photocatalytic degradation efficiency was 85.4%. Effect of ball milling time on the photocatalytic activity of the photocatalyst was also investigated. The mechanisms of the increase in the photocatalytic activity were discussed by the p-n junction principle.

The synthesis of 1,2,7,11b-Tetrahydroisoxazolo[2,3-d][1,4]benzodiazepin-6(5H)-ones and 1,3,3a,9b-tetrahydroisoxazolo[4,3-c]quinolin-4(5H)-ones

OpenAIRE

Heaney, Frances; Bourke, Sharon

1995-01-01

The reaction of various ethyl 3-[[2-(1-hydroxyiminoalkyl)phenyl]carbamoyl]acrylates (2) with electron deficient olefins proceeds via a sequential dipole formation, dipolar cycloaddition sequence to furnish the tetrahydroisoxazolo[2,3-d][1,4]benzodiazepin-6(5H)-ones and tetrahydroisoxazolo[4,3-c]quinolin-4(5H)-ones (4) and (6). The product distribution reflects the nature of the reacting olefin and the position and extent of substitution on the acrylate moiety.

Different transport behaviors of NH4 (+) and NH3 in transmembrane cyclic peptide nanotubes.

Science.gov (United States)

Zhang, Mingming; Fan, Jianfen; Xu, Jian; Weng, Peipei; Lin, Huifang

2016-10-01

Two water-filled transmembrane cyclic peptide nanotubes (CPNTs) of 8×cyclo-(WL)n=4,5/POPE were chosen to investigate the dependences of the transport properties of the positive NH4 (+) and neutral NH3 on the channel radius. Molecular dynamic simulations revealed that molecular charge, size, ability to form H-bonds and channel radius all significantly influence the behaviors of NH4 (+) and NH3 in a CPNT. Higher electrostatic interactions, more H-bonds, and water-bridges were found in the NH4 (+) system, resulting in NH4 (+) meeting higher energy barriers, while NH3 can enter, exit and permeate the channels effortlessly. This work sheds a first light on the differences between the mechanisms of NH4 (+) and NH3 moving in a CPNT at an atomic level. Graphical Abstract Snapshot of the simulation system of NH4 (+)_octa-CPNT with an NH4 (+) initially positioned at one mouth of the tube, PMF profiles for single NH4 (+) ion and NH3 molecule moving through water-filled transmembrane CPNTs of 8×cyclo-(WL)n=4,5/POPE and sketch graphs of the possible H-bond forms of NH3 and NH4 (+) with the neighboring water.

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

Triosmium cluster compounds containing isocyanide and hydride ligands. Crystal and molecular structure of (μ-H)(μ-eta1-C==N(H)(t-C4H9))Os3(CO)10

International Nuclear Information System (INIS)

Adams, R.D.; Golembeski, N.M.

1979-01-01

The crystal and molecular structure of the compound (μ-H)(μ-eta 1 -C==N(H)(t-C 4 H 9 ))Os 3 (CO) 10 has been determined by X-ray crystallographic methods. The compound crystallizes in the centrosymmetric monoclinic space group P2 1 /n[C/sub 2h/ 5 ]:a = 13.651 (4) A, b = 9.156 (4) A, c = 18.275 (5) A, β = 111.42 (2) 0 , V = 2126.3 (25) A 3 , Z = 4, rho/sub calcd/ = 2.92 g cm -3 . A uniform triangular cluster of three osmium atoms contains ten linear carbonyl groups and a μ-eta 1 -C==N(H)(t-C 4 H 9 ) iminyl ligand. The carbon atom of the iminyl ligand symmetrically bridges one osmium-osmium bond, as is shown by the internuclear separations Os(2)-C(11) = 2.066 (8) A and Os(3)-C(11) = 2.043 (8) A. The iminyl bond, C(11)-N, is double with the C-N distance being 1.298 (10) A

Synthesis, crystal structure, thermal analysis and dielectric properties of [(C{sub 4}H{sub 9}){sub 4}N]{sub 3}Bi{sub 2}Cl{sub 9} compound

Energy Technology Data Exchange (ETDEWEB)

Trigui, W., E-mail: walatrigui@yahoo.fr; Oueslati, A.; Chaabane, I.; Hlel, F.

2015-07-15

A new organic–inorganic tri-tetrabutylammonium nonachlorobibismuthate(III) compound was prepared. It was found to crystallize in the monoclinic system (P2{sub 1}/n space group) with the following lattice parameters: a=11.32(2) Å, b=22.30(3) Å, c=28.53(2) Å and β=96.52(0)°. The [Bi{sub 2}Cl{sub 9}]{sup 3−} anions are surrounded by six [(C{sub 4}H{sub 9})N]{sup +} cations, forming an octahedral configuration. These octahedra are sharing corners in order to provide the tri-dimensional network cohesion. The differential scanning calorimetry reveals four order-disorder reversible phase transitions located at 214, 238, 434 and 477 K. The Raman and infrared spectra confirm the presence of both cationic [(C{sub 4}H{sub 9})N]{sup +} and anionic [Bi{sub 2}Cl{sub 9}]{sup 3−} parts. The dielectric parameters, real and imaginary dielectric permittivity (ε′ and ε″), and dielectric loss tangent (tg δ), were measured in the frequency range of 209 kHz–5 MHz at different temperatures. The variations of dielectric dispersion (ε') and dielectric absorption (ε″) with frequency show a distribution of relaxation times, which is probably related to the change in the dynamical state of the [(C{sub 4}H{sub 9}){sub 4}N]{sup +} cations and the [Bi{sub 2}Cl{sub 9}]{sup 3−} anions. - Graphical abstract: Projection of the atomic arrangement of the [(C{sub 4}H{sub 9}){sub 4}N]{sub 3}Bi{sub 2}Cl{sub 9} compound along the b axis. - Highlights: • The structure of the (TBA){sub 3}Bi{sub 2}Cl{sub 9} compound was solved and reported. • The cristal belongs to the monoclinic system with P2{sub 1}/n space group. • DSC discloses four order–disorder reversible phases transitions. • The temperature-dependent permittivity ε' and ε″ has been investigated.

Ultrasound assisted synthesis of heterogeneous g-C{sub 3}N{sub 4}/BiVO{sub 4} composites and their visible-light-induced photocatalytic oxidation of NO in gas phase

Energy Technology Data Exchange (ETDEWEB)

Ou, Man; Zhong, Qin, E-mail: zq304@mail.njust.edu.cn; Zhang, Shule; Yu, Lemeng

2015-03-25

Highlights: • The g-C{sub 3}N{sub 4}/BiVO{sub 4} composites were prepared via ultrasonic and calcination methods. • The conversion of NO of G6B4 was 4 times larger than that of the pure phases. • There were only NO{sub 2}{sup −} and NO{sub 3}{sup −} produced in the PCO reaction process. • The promotional mechanism on the g-C{sub 3}N{sub 4}/BiVO{sub 4} heterojunctions was proposed. - Abstract: The visible light active g-C{sub 3}N{sub 4}/BiVO{sub 4} catalysts were synthesized via facile ultrasonic dispersion and calcination methods and used in the study for photocatalytic oxidation (PCO) of NO in gas phase. The as-synthesized samples were analyzed by various characterization techniques. The results exhibited that an interaction between BiVO{sub 4} and g-C{sub 3}N{sub 4} was confirmed and a heterojunction was formed on the surface of g-C{sub 3}N{sub 4}/BiVO{sub 4} composite, which enhanced the separation and transfer of photogenerated electron–hole pairs. The mechanism on the heterojunction effect to improve the PCO ability was also proposed. The activity test showed that the optimum content of g-C{sub 3}N{sub 4} was 50 wt%. And the maximum conversion of NO was four times larger than that of the pure components when the inlet concentration of NO was about 400 ppm under the visible light (VL) irradiation. The ion chromatography (IC) showed that NO was removed in the oxidation formation of NO{sub 2}{sup −} and NO{sub 3}{sup −}.

Neutron single crystal diffraction studies of orientational glass state in the [Rbx(NH4)1-x]3H(SO4)2 mixed crystals

International Nuclear Information System (INIS)

Smirnov, L.S.; Reehuis, M.; Loose, A.; Hohlwein, D.; Hoffmann, J.U.; Wozniak, K.; Dominiak, P.; Baranov, A.I.; Dolbinina, V.V.

2005-01-01

The [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystal with the concentration x=0.0 at room temperature crystallizes in a monoclinic C2/c with sp.gr. (space group), which is stabilized for x>0.09 down to low temperatures. This system is transformed in the orientational glass state below the freezing temperature T g =30 K. The differential Fourier maps for the [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals show that if for x=0.0 and 0.11 at 293 K the obtained maps reflect different orientational positions of crystallographically independent NH 4 (1) and NH 4 (2) groups, then the differential Fourier maps for x=0.20 at 9 K in the orientational glass state are similar for both ammonium groups reflecting their static disorder. The existence of the modulated structure in the [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals with x=0.11 at 2 K is discovered, while the modulated structure for x=0.20 at 2 K is absent. This observation supposes that there should be two different regions of the orientational glass state on x-T phase diagram of the [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals

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).

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.

Triosmium cluster compounds containing isocyanide and hydride ligands. Crystal and molecular structures of (μ-H)(H)Os3(CO)10(CN-t-C4H9) and (μ-H)2Os3(CO)9(CN-t-C4H9)

International Nuclear Information System (INIS)

Adams, R.D.; Golembski, N.M.

1979-01-01

The structures of the compounds (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ) and (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ) have been revealed by x-ray crystallographic techniques. For (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ): a = 9.064 (3), b = 12.225 (3), c = 20.364 (4) A; β = 98.73 (3) 0 ; space group P2 1 /c[C/sub 2h/ 5 ], No. 14; Z = 4; d/sub calcd/ = 2.79 g cm -3 . This compound contains a triangular cluster of three osmium atoms; Os(1)--Os(2) = 2.930 (1) A, Os(1)--Os(3) = 2.876 (1) A, and Os(2)--Os(3) = 3.000 (1) A. There are ten linear terminal carbonyl groups and one linear terminal isocyanide ligand which occupies an axial coordination site. The hydrogen atoms were not observed crystallographically, but their positions are strongly inferred from considerations of molecular geometry. For (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ): a = 15.220 (8), b = 12.093 (6), c = 23.454 (5) A; space group Pbcn [D/sub 2h/ 14 ], No. 60; Z = 8; d/sub calcd/ = 2.79 g cm -3 . The compound is analogous to the parent carbonyl (μ-H) 2 Os 3 (CO) 10 and has two normal and one short osmium--osmium bonds: Os(1)--Os(2) = 2.827 (1) A, Os(1)--Os(3) = 2.828 (1) A, Os(2)--Os(3) = 2.691 (1) A. The isocyanide ligand resides in an equatorial coordination site on osmium Os(2). The hydrogen atoms were not observed but are believed to occupy bridging positions as in the parent carbonyl complex. 2 figures, 7 tables

Aquaporin 4 as a NH3 Channel

DEFF Research Database (Denmark)

Assentoft, Mette; Kaptan, Shreyas; Schneider, Hans-Peter

2016-01-01

-brain-interface, participate in the exchange of ammonia, which is required to sustain the glutamate-glutamine cycle. Here we observe that AQP4-expressing Xenopus oocytes display a reflection coefficient NH4Cl at pH 8.0, at which pH an increased amount of the ammonia occurs in the form of NH3 Taken together with an NH4......Cl-mediated intracellular alkalization (or lesser acidification) of AQP4-expressing oocytes, these data suggest that NH3 is able to permeate the pore of AQP4. Exposure to NH4Cl increased the membrane currents to a similar extent in uninjected oocytes and in oocytes expressing AQP4, indicating...... that the ionic NH4 (+) did not permeate AQP4. Molecular dynamics simulations revealed partial pore permeation events of NH3 but not of NH4 (+) and a reduced energy barrier for NH3 permeation through AQP4 compared with that of a cholesterol-containing lipid bilayer, suggesting AQP4 as a favored transmembrane...

Hydrogen generation behaviors of NaBH4-NH3BH3 composite by hydrolysis

Science.gov (United States)

Xu, Yanmin; Wu, Chaoling; Chen, Yungui; Huang, Zhifen; Luo, Linshan; Wu, Haiwen; Liu, Peipei

2014-09-01

In this work, NH3BH3 (AB) is used to induce hydrogen generation during NaBH4 (SB) hydrolysis in order to reduce the use of catalysts, simplify the preparation process, reduce the cost and improve desorption kinetics and hydrogen capacity as well. xNaBH4-yNH3BH3 composites are prepared by ball-milling in different proportions (from x:y = 1:1 to 8:1). The experimental results demonstrate that all composites can release more than 90% of hydrogen at 70 °C within 1 h, and their hydrogen yields can reach 9 wt% (taking reacted water into account). Among them, the composites in the proportion of 4:1 and 5:1, whose hydrogen yields reach no less than 10 wt%, show the best hydrogen generation properties. This is due to the impact of the following aspects: AB additive improves the dispersibility of SB particles, makes the composite more porous, hampers the generated metaborate from adhering to the surface of SB, and decreases the pH value of the composite during hydrolysis. The main solid byproduct of this hydrolysis system is NaBO2·2H2O. By hydrolytic kinetic simulation of the composites, the fitted activation energies of the complexes are between 37.2 and 45.6 kJ mol-1, which are comparable to the catalytic system with some precious metals and alloys.

[Seasonal variation patterns of NH4(+) -N/NO3(-) -N ratio and delta 15 NH4(+) value in rainwater in Yangtze River Delta].

Science.gov (United States)

Xie, Ying-Xin; Zhang, Shu-Li; Zhao, Xu; Xiong, Zheng-Qin; Xing, Guang-Xi

2008-09-01

By using a customized manual rainwater sampler made of polyvinyl chloride plastic, the molar ratio of NH4(+) -N/NO3(-) -N and the natural 15N abundance of NH4(+) (delta 15 NH4(+) in rainwater was monitored all year round from June 2003 to July 2005 at three observation sites (Changshu, Nanjing, and Hangzhou) in the Yangtze River Delta. The results indicated that at the three sites, the NH4(+) -N/NO3(-) -N ratio and the delta 15 NH4(+) value in rainwater had the similar seasonal variation trend, being more obvious in Changshu (rural monitoring type) site than in Nanjing (urban monitoring type) and Hangzhou (urban-rural monitoring type) sites. The NH4(+) -N/NO3(-) -N ratio peaked from early June to early August, declined gradually afterwards, and reached the bottom in winter; while the delta 15 NH4(+) value was negative from late June to mid-August, turned positive from late August to mid or late November, became negative again when winter dominated from December to March, but turned positive again in next May and negative again in next July. These seasonal variation patterns of NH4(+) -N/NO3(-) -N ratio and delta 15 NH4(+) value were found in relation to the application of chemical nitrogen fertilizers during different crop growth periods, and also, the alternation of seasons and the NH3 volatilization from other NH3 emission sources (including excrements of human and animals, nitrogen- polluted water bodies, and organic nitrogen sources, etc.), which could be taken as an indicator of defining the sources and form composition of NH4(+) in atmospheric wet deposition and the intensity of various terrestrial NH3 emission sources.

Densities and apparent molar volumes of atmospherically important electrolyte solutions. 1. The solutes H2SO4, HNO3, HCl, Na2SO4, NaNO3, NaCl, (NH4)2SO4, NH4NO3, and NH4Cl from 0 to 50 °C, including extrapolations to very low temperature and to the pure liquid state, and NaHSO4, NaOH, and NH3 at 25 °C.

Science.gov (United States)

Clegg, S L; Wexler, A S

2011-04-21

Calculations of the size and density of atmospheric aerosols are complicated by the fact that they can exist at concentrations highly supersaturated with respect to dissolved salts and supercooled with respect to ice. Densities and apparent molar volumes of solutes in aqueous solutions containing the solutes H(2)SO(4), HNO(3), HCl, Na(2)SO(4), NaNO(3), NaCl, (NH(4))(2)SO(4), NH(4)NO(3), and NH(4)Cl have been critically evaluated and represented using fitted equations from 0 to 50 °C or greater and from infinite dilution to concentrations saturated or supersaturated with respect to the dissolved salts. Using extrapolated densities of high-temperature solutions and melts, the relationship between density and concentration is extended to the hypothetical pure liquid solutes. Above a given reference concentration of a few mol kg(-1), it is observed that density increases almost linearly with decreasing temperature, and comparisons with available data below 0 °C suggest that the fitted equations for density can be extrapolated to very low temperatures. As concentration is decreased below the reference concentration, the variation of density with temperature tends to that of water (which decreases as temperature is reduced below 3.98 °C). In this region below the reference concentration, and below 0 °C, densities are calculated using extrapolated apparent molar volumes which are constrained to agree at the reference concentrations with an equation for the directly fitted density. Calculated volume properties agree well with available data at low temperatures, for both concentrated and dilute solutions. Comparisons are made with literature data for temperatures of maximum density. Apparent molar volumes at infinite dilution are consistent, on a single ion basis, to better than ±0.1 cm(3) mol(-1) from 0 to 50 °C. Volume properties of aqueous NaHSO(4), NaOH, and NH(3) have also been evaluated, at 25 °C only. In part 2 of this work (ref 1 ) an ion interaction (Pitzer

Comparative study of wheat utilization of NH4 and NO3 as sources of N-fertilizer using N15 technique

International Nuclear Information System (INIS)

Khalifa, Kh.

1993-05-01

Two field experiments were conducted separately on wheat (Cultivar ACSAD-65) in 1987/1988 at the Research Station of Arabic Center for the Studies of Arid Zones and Dry Lands (ACSAD) in Deir-Ezzor, Using N 15 methodology to compare the efficient utilization of N 15 -NO 3 and N 15 -N H 4 radicals as sources of nitrogen applied in three different levels (50, 100 and 200 Kg N/ha and two placement methods (Top-dressed and Side-dressed). The results indicate that Ndff % in the from of N 15 -NH 4 was higher than N 15 -NO 3 in both placements, at different growth stages, consequently, when using N-NH 4 form, N-uptake was higher than N-NO 3 form; the efficiency of N-NH 4 was higher than N-NO 3 in most cases regardless of the method of placement; the rate of applied nitrogen in both forms (N-NH 4 and N-NO 3 ) had higher effect on yield more than the placements; side-dressed placement had higher effect on the efficiency of the utilization of N-NO 3 and N-NH 4 as well as on crop yield than the Top-dressed; using N-NO 3 , A-values in the three growth stages of crop at the nitrogen levels used, were higher than using N-NH 4 in both placements; and finally using N-NO 3 in the second and third stages of crop growth, the yield was higher than using N-NH 4 and almost similar in the first stages. (author). 9 refs., 26 tabs

[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.

Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H-one

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Gene-Hsiang Lee

2006-03-01

Full Text Available The title compound 6-amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7H-one (4, molecular formula C11H10N6OS, was obtained by the reaction of3-amino-2-benzyl-6-hydrazino-1,2,4-triazin-5(2H-one (3 with carbon disulfide in awater/pyridine mixture. Compound 4 can also be synthesized by reacting6-amino-3(2Hmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H-one (7 with benzylbromide in methanolic ammonia water. The compound crystallizes in the monoclinicspace group P21/c with a = 7.2926(15, b = 14.456(2, c = 11.436(2 å, β = 105.30(2°, V= 1162.9(4 å3 and Z = 4, resulting in a density Dcalc of 1.567 g/cm3. Molecules of 4 arelinked by extensive intermolecular N-H···N and N-H···O hydrogen bonding [graph set R22 (9]. The structure is further stabilized by π-π stacking interactions. 2

1,4-Dimethyl-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5(4H-one

Directory of Open Access Journals (Sweden)

Giuseppe Daidone

2008-05-01

Full Text Available The title compound, C18H15N3O, is the product of the thermal decomposition of the diazonium salt derived from 2-amino-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-ylbenzamide. It is characterized by a trans orientation of the methyl groups with respect to the tricyclic ring system. The molecule has a nearly planar phenylpyrazolo[3,4-c]isoquinolin-5-one system, the largest deviation from the mean plane being 0.066 (2 Å for the O atom. The dihedral angle between the phenyl substituent and the heterotricycle is 67 (1°. The packing is stabilized by C—H...N hydrogen-bond interactions, with the formation of molecular chains along the c axis.

NQR and X-ray crystal structure studies of cadmium halide complexes: [C(NH2)3]CdI3 and [4-ClC6H5NH3]3CdBr5

International Nuclear Information System (INIS)

Gesing, Thorsten M.; Lork, Enno; Terao, Hiromitsu; Ishihara, Hideta

2016-01-01

The crystal structures of [C(NH 2 ) 3 ]CdI 3 (1) and [4-ClC 6 H 5 NH 3 ] 3 CdBr 5 (2) have been determined at 100 K: monoclinic, Cc, a = 828.75(3) pm, b = 1615.31(5) pm, c = 810.64(3) pm, and β = 106.5820(10) for 1; monoclinic, P2 1 /c, a = 1486.93(5) pm, b = 794.31(3) pm, c = 2290.59(7) pm, and β = 99.6830(10) for 2. The structure of 1 has an infinite chain of anions consisting of [CdI 4 ] tetrahedra sharing two corners. The structure of 2 has an infinite chain of anions consisting of [CdBr 6 ] octahedra sharing two corners in cis positions. In both structures, isolated cations are connected to the anion chains through weak hydrogen bonds Cd-X..H to result in three-dimensional network structures. In accordance with the crystal structures, three 127 I (m = ±1/2 <-> m = ±3/2), five 81 Br, and three 35 Cl nuclear quadrupole resonance (NQR) lines were observed for 1 and 2. The NQR spectra reflect the anion chain structures and their weak hydrogen bonds. The MO calculations of the models [Cd 5 I 16 ] 6- for 1 and [Cd 3 Br 16 ] 10- for 2 estimate only about half the values for the NQR frequencies but give accurate electric field gradient directions.

Nd(NH2SO3)(SO4) . 1.5 H2O: a non-centrosymmetric amidosulfate-sulfate of neodymium

International Nuclear Information System (INIS)

Wickleder, M.S.

2005-01-01

The thermal decomposition of Nd(NH 2 SO 3 ) 3 . 2 H 2 O in a closed tube leads to violet single crystals of Nd(NH 2 SO 3 )(SO 4 ) . 1.5 H 2 O. The compound crystallizes with the space group P1 (Z = 2, a = 689.2, b = 691.4, c = 962.0 pm, α = 109.64, β = 97.00, γ = 109.62 ). The triclinic unit cell can be transformed into the respective bodycentered setting I1 (Z = 2, a = 977.9, b = 795.6, c = 1113.0 pm, α = 90.69, β = 115.06, γ = 88.98 ) leading to a nearly monoclinic unit cell for the compound. In the crystal structure of Nd(NH 2 SO 3 )(SO 4 ) . 1.5 H 2 O two Nd 3+ ions are present. Nd(1) 3+ is coordinated by four NH 2 SO 3 - and two SO 4 2- ions, and one H 2 O molecule. Owing to the chelating attack of the sulfate groups, the CN is nine. Nd(2) 3+ is surrounded by four monodentate SO 4 2- and two NH 2 SO 3 - groups. Two H 2 O ligands fill up the coordination sphere and lead to a CN of eight. The linkage of the polyhedra leads to a three-dimensional network. (orig.)

Synthesis of N-(5-(Substitutedphenyl-4,5-dihydro-1H-pyrazol-3-yl-4H-1,2,4-triazol-4-amine from 4-Amino-4H-1,2,4-triazole

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Ashvin D. Panchal

2011-01-01

Full Text Available N-(4H-1,2,4-Triazol-4-ylacetamide (2 were prepared by reaction of 4-amino-4H-1,2,4-triazole (1 with acetyl chloride in dry benzene. It has been reacted with various aromatic aldehyde to afford 3-(substitutedphenyl-N-(4H-1,2,4-triazol-4-ylacrylamide (3a-e. The synthesis of N-(5-substitutedphenyl-4,5-dihydro-1H-pyrazol-3-yl-4H-1,2,4-triazol-4-amine (4a-e is achieved by the cyclisation of 3a-e with hydrazine hydrate in ethanol. The structures of synthesized compounds were characterized by 1H NMR and IR spectroscopic studies. The purity of the compounds was checked by thin layer chromatography.

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.

Real-time observation of formation and relaxation dynamics of NH4 in (CH3OH)m(NH3)n clusters.

Science.gov (United States)

Yamada, Yuji; Nishino, Yoko; Fujihara, Akimasa; Ishikawa, Haruki; Fuke, Kiyokazu

2009-03-26

The formation and relaxation dynamics of NH4(CH3OH)m(NH3)n clusters produced by photolysis of ammonia-methanol mixed clusters has been observed by a time-resolved pump-probe method with femtosecond pulse lasers. From the detailed analysis of the time evolutions of the protonated cluster ions, NH4(+)(CH3OH)m(NH3)n, the kinetic model has been constructed, which consists of sequential three-step reaction: ultrafast hydrogen-atom transfer producing the radical pair (NH4-NH2)*, the relaxation process of radical-pair clusters, and dissociation of the solvated NH4 clusters. The initial hydrogen transfer hardly occurs between ammonia and methanol, implying the unfavorable formation of radical pair, (CH3OH2-NH2)*. The remarkable dependence of the time constants in each step on the number and composition of solvents has been explained by the following factors: hydrogen delocalization within the clusters, the internal conversion of the excited-state radical pair, and the stabilization of NH4 by solvation. The dependence of the time profiles on the probe wavelength is attributed to the different ionization efficiency of the NH4(CH3OH)m(NH3)n clusters.

Imaging a multidimensional multichannel potential energy surface: Photodetachment of H(-)(NH3) and NH4 (.).

Science.gov (United States)

Hu, Qichi; Song, Hongwei; Johnson, Christopher J; Li, Jun; Guo, Hua; Continetti, Robert E

2016-06-28

Probes of the Born-Oppenheimer potential energy surfaces governing polyatomic molecules often rely on spectroscopy for the bound regions or collision experiments in the continuum. A combined spectroscopic and half-collision approach to image nuclear dynamics in a multidimensional and multichannel system is reported here. The Rydberg radical NH4 and the double Rydberg anion NH4 (-) represent a polyatomic system for benchmarking electronic structure and nine-dimensional quantum dynamics calculations. Photodetachment of the H(-)(NH3) ion-dipole complex and the NH4 (-) DRA probes different regions on the neutral NH4 PES. Photoelectron energy and angular distributions at photon energies of 1.17, 1.60, and 2.33 eV compare well with quantum dynamics. Photoelectron-photofragment coincidence experiments indicate dissociation of the nascent NH4 Rydberg radical occurs to H + NH3 with a peak kinetic energy of 0.13 eV, showing the ground state of NH4 to be unstable, decaying by tunneling-induced dissociation on a time scale beyond the present scope of multidimensional quantum dynamics.

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

H2 dilution effect in the Cat-CVD processes of the SiH4/NH3 system

International Nuclear Information System (INIS)

Ansari, S.G.; Umemoto, Hironobu; Morimoto, Takashi; Yoneyama, Koji; Izumi, Akira; Masuda, Atsushi; Matsumura, Hideki

2006-01-01

Gas-phase diagnostics in the catalytic chemical vapor deposition processes of the SiH 4 /NH 3 /H 2 system were carried out to examine the effect of H 2 dilution. The decomposition efficiency of NH 3 showed a sharp decrease with the introduction of a small amount of SiH 4 , but this decrease was recovered by the addition of H 2 when the NH 3 pressure was low. On the other hand, at higher NH 3 pressures, the decomposition efficiency showed a minor dependence on the H 2 partial pressure. The addition of SiH 4 to the NH 3 system decreases the H-atom density by one order of magnitude, but this decrease is also recovered by H 2 addition. H atoms produced from H 2 must re-activate the catalyzer surfaces poisoned by SiH 4 when the NH 3 pressure is low

Polymeric anionic networks using dibromine as a crosslinker; the preparation and crystal structure of [(C4H9)4N]2[Pt2Br10].(Br2)7 and [(C4H9)4N]2[PtBr4Cl2].(Br2)6.

Science.gov (United States)

Berkei, Michael; Bickley, Jamie F; Heaton, Brian T; Steiner, Alexander

2002-09-21

The reaction of M[PtX3(CO)] (M+ = [(C4H9)4N]+, X = Br, Cl) with an excess of Br2 gives the new platinum(IV) salts, [(C4H9)4N]2[Pt2Br10].(Br2)7, 1, and [(C4H9)4N]2[PtBr4Cl2].(Br2)6, 2, which, in the solid state, contain strong Br Br interactions resulting in the formation of polymeric networks; they could provide useful solid storage reservoirs for elemental bromine.

NH{sub 4}-doped anodic WO{sub 3} prepared through anodization and subsequent NH{sub 4}OH treatment for water splitting

Energy Technology Data Exchange (ETDEWEB)

Choi, Yong-Wook; Kim, Sunkyu; Seong, Mijeong; Yoo, Hyeonseok; Choi, Jinsub, E-mail: jinsub@inha.ac.kr

2015-01-01

Highlights: • NN{sub 4}-doped WO{sub 3} was successfully fabricated by a wet-based method using ammonium hydroxide (NH{sub 4}OH). • (NH{sub 4}){sub 10}W{sub 12}O{sub 41} phase was formed during the NH{sub 4}OH treatment. • Over-doped NH{sub 4} in WO{sub 3} led to reduced photo-electrochemical performance for OER. • The optimized surface was achieved by thermal treatment of anodic WO{sub 3} with 2 g of NH{sub 4}OH solution. - Abstract: Tungsten trioxide (WO{sub 3}) prepared by anodization of a W foil was doped with NH{sub 4} through NH{sub 4}OH treatment at 450 °C. Since aqueous NH{sub 4}OH was used during doping instead of NH{sub 3} gas, the treatment step does not require complicated annealing facilities. Moreover, the state of doped N is a form of NH{sub 3}-W instead of W{sub 2}N, which lowers the bandgap but increases photocorrosion. We found that incorporation of NH{sub 4} into WO{sub 3} leads to reduction of the bandgap from 2.9 eV to 2.2 eV, regardless of the amount of NH{sub 4}OH treatment, lowering the onset potential and increasing the current density at fixed potential for oxygen evolution reaction under illumination. Scanning electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy were employed to investigate the surface morphologies, crystallinities of tungsten oxides and existence of NH{sub 4} doping, respectively. The bandgap energy was determined by UV–Vis spectroscopy to measure the transmittance and refraction. The water splitting performance of each sample was measured by electrochemical linear sweep voltammetry in a 3-electrode configuration under illumination.

Synthesis of (3R)-3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra-hydro-9-[4-3H] carbazolepropanoic acid

International Nuclear Information System (INIS)

Pleiss, Ulrich; Radtke, Martin; Schmitt, Peter

1990-01-01

(3R)-3-(4-Fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-[4- 3 H]carbazolepropanoic acid ( [ 3 H]BAY u 3405) (5) was synthesized by catalytic reduction of (3R)-3-(4-fluorophenylsulfonamido)-4-oxo-1,2,3,4-tetrahydro-9-carbazolepropanoic acid (4) with tritium. The precursor (4) was prepared by esterification and following oxidation of BAY u 3405 with 2,3-dichloro-5,6-dicyano-p-benzoquinone. 3 H NMR analysis of the final product showed the formation of [4α- 3 H]BAY us 3405 and [4β- 3 H]BAY u 3405 in a ratio of 1:1. (author)

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

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.

Hollow-Cuboid Li3VO4/C as High-Performance Anodes for Lithium-Ion Batteries.

Science.gov (United States)

Zhang, Changkun; Liu, Chaofeng; Nan, Xihui; Song, Huanqiao; Liu, Yaguang; Zhang, Cuiping; Cao, Guozhong

2016-01-13

Li3VO4 has been demonstrated to be a promising anode material for lithium-ion batteries with a low, safe voltage and large capacity. However, its poor electronic conductivity hinders its practical application particularly at a high rate. This work reports that Li3VO4 coated with carbon was synthesized by a one-pot, two-step method with F127 ((PEO)100-(PPO)65-(PEO)100) as both template and carbon source, yielding a microcuboid structure. The resulting Li3VO4/C cuboid shows a stable capacity of 415 mAh g(-1) at 0.5 C and excellent capacity stability at high rates (e.g., 92% capacity retention after 1000 cycles at 10 C = 4 A g(-1)). The lithiation/delithiation process of Li3VO4/C was studied by ex situ X-ray diffraction and Raman spectroscopy, which confirmed that Li3VO4/C underwent a reversible intercalation reaction during discharge/charge processes. The excellent electrochemical performance is attributed largely to the unique microhollow structure. The voids inside hollow structure can not only provide more space to accommodate volume change during discharge/charge processes but also allow the lithium ions insertion and extraction from both outside and inside the hollow structure with a much larger surface area or more reaction sites and shorten the lithium ions diffusion distance, which leads to smaller overpotential and faster reaction kinetics. Carbon derived from F127 through pyrolysis coats Li3VO4 conformably and thus offers good electrical conduction. The results in this work provide convincing evidence that the significant potential of hollow-cuboid Li3VO4/C for high-power batteries.

Methanesulfonates of high-valent metals. Syntheses and structural features of MoO_2(CH_3SO_3)_2, UO_2(CH_3SO_3)_2, ReO_3(CH_3SO_3), VO(CH_3SO_3)_2, and V_2O_3(CH_3SO_3)_4 and their thermal decomposition under N_2 and O_2 atmosphere

International Nuclear Information System (INIS)

Betke, Ulf; Neuschulz, Kai; Wickleder, Mathias S.

2011-01-01

Oxide methanesulfonates of Mo, U, Re, and V have been prepared by reaction of MoO_3, UO_2(CH_3COO)_2.2 H_2O, Re_2O_7(H_2O)_2, and V_2O_5 with CH_3SO_3H or mixtures thereof with its anhydride. These compounds are the first examples of solvent-free oxide methanesulfonates of these elements. MoO_2(CH_3SO_3)_2 (Pbca, a=1487.05(4), b=752.55(2), c=1549.61(5) pm, V=1.73414(9) nm"3, Z=8) contains [MoO_2] moieties connected by [CH_3SO_3] ions to form layers parallel to (100). UO_2(CH_3SO_3)_2 (P2_1/c, a=1320.4(1), b=1014.41(6), c=1533.7(1) pm, β=112.80(1) "c"i"r"c"l"e, V=1.8937(3) nm"3, Z=8) consists of linear UO_2"2"+ ions coordinated by five [CH_3SO_3] ions, forming a layer structure. VO(CH_3SO_3)_2 (P2_1/c, a=1136.5(1), b=869.87(7), c=915.5(1) pm, β=113.66(1) "c"i"r"c"l"e, V=0.8290(2) nm"3, Z=4) contains [VO] units connected by methanesulfonate anions to form corrugated layers parallel to (100). In ReO_3(CH_3SO_3) (P anti 1, a=574.0(1), b=1279.6(3), c=1641.9(3) pm, α=102.08(2), β=96.11(2), γ=99.04(2) "c"i"r"c"l"e, V=1.1523(4) nm"3, Z=8) a chain structure exhibiting infinite O-[ReO_2]-O-[ReO_2]-O chains is formed. Each [ReO_2]-O-[ReO_2] unit is coordinated by two bidentate [CH_3SO_3] ions. V_2O_3(CH_3SO_3)_4 (I2/a, a=1645.2(3), b=583.1(1), c=1670.2(3) pm, β=102.58(3), V=1.5637(5) pm"3, Z=4) adopts a chain structure, too, but contains discrete [VO]-O-[VO] moieties, each coordinated by two bidentate [CH_3SO_3] ligands. Additional methanesulfonate ions connect the [V_2O_3] groups along [001]. Thermal decomposition of the compounds was monitored under N_2 and O_2 atmosphere by thermogravimetric/differential thermal analysis and XRD measurements. Under N_2 the decomposition proceeds with reduction of the metal leading to the oxides MoO_2, U_3O_7, V_4O_7, and VO_2; for MoO_2(CH_3SO_3)_2, a small amount of MoS_2 is formed. If the thermal decomposition is carried out in a atmosphere of O_2 the oxides MoO_3 and V_2O_5 are formed. (Copyright copyright 2011 WILEY-VCH Verlag

THE KINETICS OF NH(4)+ AND NO3(-) UPTAKE BY DOUGLAS-FIR FROM SINGLE N-SOLUTIONS AND FROM SOLUTIONS CONTAINING BOTH NH(4)+ AND NO3(-)

NARCIS (Netherlands)

KAMMINGAVANWIJK, C; PRINS, HBA

The kinetics of NH4+ and NO3- uptake in young Douglas fir trees (Pseudotsuga menziesii [Mirb.] Franco) were studied in solutions, containing either one or both N species. Using solutions containing a single N species, the V(max) of NH4+ uptake was higher than that of NO3- uptake. The K(m) of NH4+

Improved photoelectrochemical performance of BiVO4/MoO3 heterostructure thin films

Science.gov (United States)

Kodan, Nisha; Mehta, B. R.

2018-05-01

Bismuth vanadate (BiVO4) and Molybdenum trioxide (MoO3) thin films have been prepared by RF sputtering technique. BiVO4 thin films were deposited on indium doped tin oxide (In: SnO2; ITO) substrates at room temperature and 80W applied rf power. The prepared BiVO4 thin films were further annealed at 450°C for 2 hours in air to obtain crystalline monoclinic phase and successively coated with MoO3 thin films deposited at 150W rf power and 400°C for 30 minutes. The effect of coupling BiVO4 and MoO3 on the structural, optical and photoelectrochemical (PEC) properties have been studied. Optical studies reveal that coupling of BiVO4 and MoO3 results in improvement of optical absorption in visible region of solar spectrum. PEC study shows approximate 3-fold and 38-fold increment in photocurrent values of BiVO4/MoO3 (0.38 mA/cm2) heterostructure thin film as compared to MoO3 (0.15 mA/cm2) and BiVO4 (10 µA/cm2) thin films at applied bias of 1 V vs Ag/AgCl in 0.5 M Na2SO4 (pH=7) electrolyte.

Evidence of amino acid precursors: C-N bond coupling in simulated interstellar CO2/NH3 ices

Science.gov (United States)

Esmaili, Sasan

2015-08-01

Low energy secondary electrons are abundantly produced in astrophysical or planetary ices by the numerous ionizing radiation fields typically encountered in space environments and may thus play a role in the radiation processing of such ices [1]. One approach to determine their chemical effect is to irradiate nanometer thick molecular solids of simple molecular constituents, with energy selected electron beams and to monitor changes in film chemistry with the surface analytical techniques [2].Of particular interest is the formation of HCN, which is a signature of dense gases in interstellar clouds, and is ubiquitous in the ISM. Moreover, the chemistry of HCN radiolysis products such as CN- may be essential to understand of the formation of amino acids [3] and purine DNA bases. Here we present new results on the irradiation of multilayer films of CO2 and NH3 with 70 eV electrons, leading to CN bond formations. The electron stimulated desorption (ESD) yields of cations and anions are recorded as a function of electron fluence. The prompt desorption of cationic reaction/scattering products [4], is observed at low fluence (~4x1013 electrons/cm2). Detected ions include C2+, C2O2+, C2O+, CO3+, C2O3+ or CO4+ from pure CO2, and N+, NH+, NH2+, NH3+, NH4+, N2+, N2H+ from pure NH3, and NO+, NOH+ from CO2/NH3 mixtures. Most saliently, increasing signals of negative ion products desorbing during prolonged irradiation of CO2/NH3 films included C2-, C2H-, C2H2-, as well as CN-, HCN- and H2CN-. The identification of particular product ions was accomplished by using 13CO2 and 15NH3 isotopes. The chemistry induced by electrons in pure films of CO2 and NH3 and mixtures with composition ratios (3:1), (1:1), and (1:3), was also studied by X-ray photoelectron spectroscopy (XPS). Irradiation of CO2/NH3 mixed films at 22 K produces species containing the following bonds/functional groups identified by XPS: C=O, O-H, C-C, C-O, C=N and N=O. (This work has been funded by NSERC).

[6-chloro-3-pyridylmethyl-3H]neonicotinoids as high-affinity radioligands for the nicotinic acetylcholine receptor: preparation using NaB3H4 and LiB3H4

International Nuclear Information System (INIS)

Latli, Bachir; Casida, J.E.

1996-01-01

NaB 3 H 4 and LiB 3 H 4 at 78% and 97% isotopic enrichments, respectively, were used in the synthesis of 3 H-labeled 1-(6-chloro-3-pyridyl)-methyl-2-nitromethyleneimidazolidine (CH-IMI) and N'-[(6-chloro-3-pyridyl)methyl]-n''-cyano-n'-methylacetamidine (acetamiprid) (two very potent insecticides) and of 1-(6-chloro-3-pyridyl)methyl-2-iminoimidazolidine (desnitro-IMI) (a metabolite of the commercial insecticides imidacloprid). 6-Chloronicotinoyl chloride was treated with either NaB 3 H 4 in methanol or LiB 3 H 4 in tetrahydrofuran and the resulting alcohol transformed to 2-chloro-5-chloromethylpyridine, which was then coupled to N-cyano-N'-methylacetamidine to give [ 3 H] acetamiprid (45 Ci/mmol). 2-Chloro-5-chloro[ 3 H]methylpyridine was also reacted with ethylenediamine and the product was either refluxed in absolute ethanol with 1,1-bis(methylthio)-2-nitro-ethylene to provide [ 3 H]CH-IMI or reacted in toluene with a solution of cyanogen bromide to produce [ 3 H] desnitro-IMI (each 55 Ci/mmol. (author)

Solvothermal synthesis, crystal structure, and second-order nonlinear optical properties of a new noncentrosymmetric gallium-organic framework material, [N(C3H7)4]3Ga3[C6H3(CO2)3]4

Science.gov (United States)

Lee, Dong Woo; Jo, Vinna; Ok, Kang Min

2012-10-01

A novel noncentrosymmetric (NCS) gallium-organic framework material, [N(C3H7)4]3Ga3[C6H3(CO2)3]4 (CAUMOF-11) has been synthesized by a solvothermal reaction using Ga(NO3)3·xH2O, 1,3,5-C6H3(CO2H)3, N(C3H7)4Cl, HNO3, and HCON(CH3)2 at 180 °C. The structure of the reported material has been determined by single-crystal X-ray diffraction. CAUMOF-11 has an anionic three-dimensional framework with aligned four-coordinate GaO4 tetrahedra and 1,3,5-benzenetricarboxylate groups. Tetrapropylammonim cations reside within the channel and maintain the charge balance. Detailed structural analyses with full characterization including infrared spectroscopy, thermogravimetric analysis, elemental analysis, ion-exchange reactions, topotactic decomposition, and gas adsorption experiments are reported. Powder second-harmonic generating (SHG) measurements on CAUMOF-11, using 1064 nm radiation, exhibit SHG efficiency of 15 times that of α-SiO2 and the material is phase-matchable (type-1).

3,6-Dibromo-9-(4-tert-butylbenzyl-9H-carbazole

Directory of Open Access Journals (Sweden)

Duan-Lin Cao

2008-08-01

Full Text Available In the title compound, C23H21Br2N, which was synthesized by the N-alkylation of 1-tert-butyl-4-(chloromethylbenzene with 3,6-dibromo-9H-carbazole, the asymmetric unit contains two unique molecules. Each carbazole ring system is essentially planar, with mean deviations of 0.0077 and 0.0089 Å for the two molecules. The carbazole planes make dihedral angles of 78.9 (2 and 81.8 (2° with the planes of the respective benzene rings.

Role of NH3 and NH4+ transporters in renal acid-base transport.

Science.gov (United States)

Weiner, I David; Verlander, Jill W

2011-01-01

Renal ammonia excretion is the predominant component of renal net acid excretion. The majority of ammonia excretion is produced in the kidney and then undergoes regulated transport in a number of renal epithelial segments. Recent findings have substantially altered our understanding of renal ammonia transport. In particular, the classic model of passive, diffusive NH3 movement coupled with NH4+ "trapping" is being replaced by a model in which specific proteins mediate regulated transport of NH3 and NH4+ across plasma membranes. In the proximal tubule, the apical Na+/H+ exchanger, NHE-3, is a major mechanism of preferential NH4+ secretion. In the thick ascending limb of Henle's loop, the apical Na+-K+-2Cl- cotransporter, NKCC2, is a major contributor to ammonia reabsorption and the basolateral Na+/H+ exchanger, NHE-4, appears to be important for basolateral NH4+ exit. The collecting duct is a major site for renal ammonia secretion, involving parallel H+ secretion and NH3 secretion. The Rhesus glycoproteins, Rh B Glycoprotein (Rhbg) and Rh C Glycoprotein (Rhcg), are recently recognized ammonia transporters in the distal tubule and collecting duct. Rhcg is present in both the apical and basolateral plasma membrane, is expressed in parallel with renal ammonia excretion, and mediates a critical role in renal ammonia excretion and collecting duct ammonia transport. Rhbg is expressed specifically in the basolateral plasma membrane, and its role in renal acid-base homeostasis is controversial. In the inner medullary collecting duct (IMCD), basolateral Na+-K+-ATPase enables active basolateral NH4+ uptake. In addition to these proteins, several other proteins also contribute to renal NH3/NH4+ transport. The role and mechanisms of these proteins are discussed in depth in this review.

Synthesis and structure of the extended phosphazane ligand [(1,4-C6H4){N(μ-PN(t)Bu)2N(t)Bu}2](4).

Science.gov (United States)

Sevilla, Raquel; Less, Robert J; García-Rodríguez, Raúl; Bond, Andrew D; Wright, Dominic S

2016-02-07

The reaction of the phenylene-bridged precursor (1,4-C6H4)[N(PCl2)2]2 with (t)BuNH2 in the presence of Et3N gives the new ligand precursor (1,4-C6H4)[N(μ-N(t)Bu)2(PNH(t)Bu)2]2, deprotonation of which with Bu2Mg gives the novel tetraanion [(1,4-C6H4){N(μ-N(t)Bu)2(PN(t)Bu)2}2](4-).

MINERAL NITROGEN SOURCES (N-NO3- AND N-NH4+ ON GROWTH OF GRÁPIA (Apuleia leiocarpa (Vog. Macbride SEEDLINGS

Directory of Open Access Journals (Sweden)

Fernando Teixeira Nicoloso

2010-08-01

Full Text Available Grápia (Apuleia leiocarpa (Vog. Macbride is an important native forest species that has been in extinction process. The aim of this study was to evaluate the effect of mineral nitrogen source on growth of grápia seedlings. Five variations in the concentration of N-NO3- and N-NH4+ (5:0, 4:1, 2,5:2,5, 1:4, and 0:5 mM of N were tested in an entirely random statistical design with 16 replicates. The experimental unity consisted of a vessel containing 3,0 kg of a Paleudalf soil and two plants, under glasshouse conditions. From 60 to 150 days after fertilization (DAF, the plant growth and soil pH were monthly analyzed from four replicates randomly taken. Independently of the nitrogen source used, the soil pH decreased, and on 150 DAF the smallest pH variation was 0.33 and the largest one was 0.47 pH units, respectively, on treatments with 5 N-NO3-:0 N-NH4+ and 0 N-NO3-:5 N-NH4+ ratios. The presence of N-NH4+, from 1 to 5 mM, induced necrosis in old leaves and their ulterior abscission. To 150 DAF, in the presence of 5 mM N-NH4+, the plant survival was reduced to 31%. The effect of nitrogen sources on plant growth appeared to be depended on plant age and/or of their transformations in the soil. To 120 DAF, the presence of N-NH4+ from 2,5 to 5 mM reduced the number of stalk nodes, plant height, stem diameter, dry weight of leaves, of stem, of roots, and of the whole plant. However, to 150 DAF, because of the regain on the growth rate, these differences were not observed, with exception of the root/shoot dry weight ratio that was reduced on the exclusive presence of N-NH4+. The suitable N-NO3-:N-NH4+ ratio in the fertilization to grow grápia seedlings, can not exceed, respectively, 4:1.

Characterization of a n+3C/n−4H SiC heterojunction diode

Energy Technology Data Exchange (ETDEWEB)

Minamisawa, R. A.; Mihaila, A. [Department of Power Electronics, ABB Corporate Research Center, CH-5405 Baden-Dättwil (Switzerland); Farkas, I.; Hsu, C.-W.; Janzén, E. [Semiconductor Materials, IFM, Linköping University, SE-58183 Linköping (Sweden); Teodorescu, V. S. [National Institute of Material Physics, R-077125 Bucharest-Măgurele (Romania); Afanas' ev, V. V. [Semiconductor Physics Laboratory, KU Leuven, 3001 Leuven (Belgium); Rahimo, M. [ABB Semiconductors, Fabrikstrasse 3, CH-5600 Lenzburg (Switzerland)

2016-04-04

We report on the fabrication of n + 3C/n-4H SiC heterojunction diodes (HJDs) potentially promising the ultimate thermal stability of the junction. The diodes were systematically analyzed by TEM, X-ray diffraction, AFM, and secondary ion mass spectroscopy, indicating the formation of epitaxial 3C-SiC crystal on top of 4H-SiC substrate with continuous interface, low surface roughness, and up to ∼7 × 10{sup 17 }cm{sup −3} dopant impurity concentration. The conduction band off-set is about 1 V as extracted from CV measurements, while the valence bands of both SiC polytypes are aligned. The HJDs feature opening voltage of 1.65 V, consistent with the barrier height of about 1.5 eV extracted from CV measurement. We finally compare the electrical results of the n + 3C/n-4H SiC heterojunction diodes with those featuring Si and Ge doped anodes in order to evaluate current challenges involved in the fabrication of such devices.

(3aS,7aS-5-[(S-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridin-3(2H-one monohydrate

Directory of Open Access Journals (Sweden)

Huichun Zhu

2010-01-01

Full Text Available rac-Benzyl 3-oxohexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H-carboxylate was separated by chiral chromatography, and one of the enantiomers ([α]22D = +10° was hydrogenated in the presence of Pd/C in methanol, producing octahydro-3H-pyrrolo[3,4-c]pyridin-3-one. The latter was reacted with (2R-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride [(R-(−-Mosher acid chloride], giving rise to the title compound, C17H19F3N2O3·H2O. The present structure established the absolute configuration of the pyrrolopiperidine fragment based on the known configuration of the (R-Mosher acid chloride. The piperidine ring has a somewhat distorted chair conformation and is cis-fused with the five-membered envelope-shaped ring; the plane of the exocyclic amide bond is approximately orthogonal to the plane of the phenyl ring, making a dihedral angle of 82.31 (3°. The water molecule acts as an acceptor to the proton of the amino group in an N—H...O interaction, and as a double proton donor in O—H...O hydrogen bonds, generating infinite bands along the a axis.

LiVO/sub 3/-Li/sub 2/Mo(W)O/sub 4/ and NaVO/sub 3/-Na/sub 2/Cr(Mo)O/sub 4/ systems

Energy Technology Data Exchange (ETDEWEB)

Belyaev, I N; Lupeiko, T G; Vyalikova, V I [Rostovskij-na-Donu Gosudarstvennyj Univ. (USSR)

1975-09-01

The systems LiVO/sub 3/-Li/sub 2/MoO/sub 4/, LiVO/sub 3/-Li/sub 2/WO/sub 4/, NaNO/sub 3/-Na/sub 2/CrO/sub 4/, NaNO/sub 3/-Na/sub 2/MoO/sub 4/ were studied with thermographic and partially visual polythermal methods of physical and chemical analyses. Except NaVO/sub 3/-Na/sub 2/MoO/sub 4/ all investigated systems are eutectic ones with limited solid solutions on the basis of some component; the eutectics melt at 542, 544, 550/sup 0/C and contain 25, 20 and 26% of Li/sub 2/MoO/sub 4/, Li/sub 2/WO/sub 4/ and Na/sub 2/CrO/sub 4/ respectively. The system NaNO/sub 3/-Na/sub 2/MoO/sub 4/ contains compound 18 NaVO/sub 3/.11Na/sub 2/MoO/sub 4/ congruently melting at 570/sup 0/C. Two eutectics of the system have melting points at 542 and 548/sup 0/C and contain 47 and 67% of Na/sub 2/MoO/sub 4/.

Parallel Changes in Intracellular Water Volume and pH Induced by NH3/NH4+ Exposure in Single Neuroblastoma Cells

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Víctor M. Blanco

2013-12-01

Full Text Available Background: Increased blood levels of ammonia (NH3 and ammonium (NH4+, i.e. hyperammonemia, leads to cellular brain edema in humans with acute liver failure. The pathophysiology of this edema is poorly understood. This is partly due to incomplete understanding of the osmotic effects of the pair NH3/NH4+ at the cellular and molecular levels. Cell exposure to solutions containing NH3/NH4+ elicits changes in intracellular pH (pHi, which can in turn affect cell water volume (CWV by activating transport mechanisms that produce net gain or loss of solutes and water. The occurrence of CWV changes caused by NH3/NH4+ has long been suspected, but the mechanisms, magnitude and kinetics of these changes remain unknown. Methods: Using fluorescence imaging microscopy we measured, in real time, parallel changes in pHi and CWV caused by brief exposure to NH3/NH4+ of single cells (N1E-115 neuroblastoma or NG-108 neuroblastoma X glioma loaded with the fluorescent indicator BCECF. Changes in CWV were measured by exciting BCECF at its intracellular isosbestic wavelength (∼438 nm, and pHi was measured ratiometrically. Results: Brief exposure to isosmotic solutions (i.e. having the same osmolality as that of control solutions containing NH4Cl (0.5- 30 mM resulted in a rapid, dose-dependent swelling, followed by isosmotic regulatory volume decrease (iRVD. NH4Cl solutions in which either extracellular [NH3] or [NH4+] was kept constant while the other was changed by varying the pH of the solution, demonstrated that [NH3]o rather than [NH4+]o is the main determinant of the NH4Cl-induced swelling. The iRVD response was sensitive to the anion channel blocker NPPB, and partly dependent on external Ca2+. Upon removal of NH4Cl, cells shrank and displayed isosmotic regulatory volume increase (iRVI. Regulatory volume responses could not be activated by comparable CWV changes produced by anisosmotic solutions, suggesting that membrane stretch or contraction by themselves are

Behavior of sheet-like crystalline ammonium trivanadate hemihydrate (NH4V3O8×0.5H2O) as a novel ammonia sensing material

International Nuclear Information System (INIS)

Leonardi, S.G.; Primerano, P.; Donato, N.; Neri, G.

2013-01-01

This work reports the use of ammonium trivanadate hemihydrate (NH 4 V 3 O 8 ×0.5H 2 O) as a novel sensing material for ammonia resistive sensors. It was prepared by a simple and fast hydrothermal method from V 2 O 5 as a precursor and characterized by SEM, FT-IR, XRD and TG techniques. The as-synthesized material showed a sheet-like morphology and was found thermally stable up to 250–280 °C. It reacted promptly and irreversibly when exposed to ammonia at room temperature. A full reversibility was instead registered undergoing the formed ammonia adduct at a temperature higher than 200 °C. A NH 4 V 3 O 8 ×0.5H 2 O-based resistive gas sensor was fabricated and its sensing properties were evaluated. Experimental results obtained have given a preliminary demonstration of the feasibility of using NH 4 V 3 O 8 ×0.5H 2 O as a novel ammonia sensing material since it yields several advantages including easy synthesis of the sensing layer, good sensitivity and reproducibility and fast response. - Graphical abstract: Sheet-like morphology of the synthesized trivanadate hemihydrate (NH 4 V 3 O 8 ×0.5H 2 O). Inset: Its electrical response to different ammonia concentrations in air. - Highlights: • A simple hydrothermal method for the fast synthesis of trivanadate hemihydrate (NH 4 V 3 O 8 ×0.5H 2 O) is reported. • Sheet particles could be obtained. • A preliminary demonstration of the feasibility of using NH 4 V 3 O 8 ×0.5H 2 O as a novel ammonia sensing material is presented

The effect of pressure on the conductivity behavior of the (NH4)3H(SeO4)2 superprotonic crystal

Science.gov (United States)

Lindner, Ł.; Zdanowska-Frączek, M.; Pawłowski, A.; Frączek, Z. J.; Masłowski, T.

2017-07-01

The impedance spectra of (NH4)3 H(SeO4)2 in low and high-conductive phases under various thermodynamic conditions were analyzed. The measurements were performed by the ac admittance technique along the trigonal c axis of the crystal, i.e., along the direction perpendicular to the plane in which, in the superionic phases, a dynamically disordered H-bond network was formed. Activation energies and activation volumes were calculated for different phases of the (NH4)3 H(SeO4)2 crystal from the baric dependencies of dc conductivity and they were correlated with pressure coefficients of the phase transitions. The experimental results were analyzed within the classical hopping model, in terms of the strong proton-phonon coupling and polaronic effect.

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.

Treatment for GaSb surfaces using a sulphur blended (NH4)2S/(NH4)2SO4 solution

International Nuclear Information System (INIS)

Murape, D.M.; Eassa, N.; Neethling, J.H.; Betz, R.; Coetsee, E.; Swart, H.C.; Botha, J.R.; Venter, A.

2012-01-01

A sulphur based chemical, [(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ] to which S has been added, not previously reported for the treatment of (1 0 0) n-GaSb surfaces, is introduced and benchmarked against the commonly used passivants Na 2 S·9H 2 O and (NH 4 ) 2 S. The surfaces of the treated material were studied by scanning electron microscopy (SEM), Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). It has been found that the native oxides present on the GaSb surface are more effectively removed when treated with ([(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ] + S) than with (NH 4 ) 2 S or Na 2 S·9H 2 O, as evidenced by the ratio of the O 506eV to Sb 457eV AES peaks. XPS results reveal that Sb 2 S 3 /Sb 2 S 5 “replaces” Sb 2 O 3 /Sb 2 O 5 , suggesting that sulphur atoms substitute oxygen atoms in Sb 2 O 3 /Sb 2 O 5 to form Sb-S. It seems sulphurization only partially removes Ga 2 O 3 . Treatment with ([(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ] + S) also results in a noteworthy improvement in the current-voltage (I-V) characteristics of Au/n-GaSb Schottky contacts compared to those fabricated on as-received material.

Investigation into isomolar series of Al(NO3)3, Na3VO4 solution mixture and composition of solid phases

International Nuclear Information System (INIS)

Chernysh, L.F.; Nakhodnova, A.P.; Makarova, R.A.

1979-01-01

Conducted is investigation of properties of isomolar series of aluminium nitrate and sodiUm vanadate solutions at pH of the latter 12.5; 10.0; 7.0 and the temperature of 25 deg C using the methods of pH-metry, conductometry, ''seeming'' volume of precipitations, residual concentration of aluminium and vanadium. It is shown, that the composition property diagram of the system investigated does not reflect the true composition of solid-phase products of the reaction, which depends on the component ratio in solution. Bottom phases of isomolar series are mainly heterogeneous. At the excess of sodium vanadate solution and its high pH values conditions for the basic salt formation are created. At pH of the Na 3 VO 4 solution of 12.5 and 10.0 and Al(NO 3 ) 3 : Na 3 VO 4 ratios 4:6 and 3:7 respectively obtained are the basic aluminium vanadates of the (AlOH) 3 (VO 4 ) 2 x 7.5H 2 O and (AlOH) 2 V 2 O 7 x5H 2 O composition, some of their physicochemical properties being investigated

Hierarchically porous Li3VO4/C nanocomposite as an advanced anode material for high-performance lithium-ion capacitors

Science.gov (United States)

Xu, Xuena; Niu, Feier; Zhang, Dapeng; Chu, Chenxiao; Wang, Chunsheng; Yang, Jian; Qian, Yitai

2018-04-01

Lithium-ion capacitors, as a hybrid electrochemical energy storage device, realize high specific energy and power density within one device, thus attracting extensive attention. Here, hierarchically porous Li3VO4/C nanocomposite is prepared by a solvo-thermal reaction, followed with a post-annealing process. This composite has macropores at the center and mesopores in the wall, thus effectively promoting electrolyte penetration and structure stability upon cycling simultaneously. Compared to mesoporous Li3VO4, the enhanced rate capability and specific capacity of hierarchically porous Li3VO4/C indicate the synergistic effect of mesopores and macropores. Inspired by these results, this composite is coupled with mesoporous carbon (CMK-3) for lithium-ion capacitors, generating a specific energy density of 105 Wh kg-1 at a power density of 188 W kg-1. Even if the power density increases to 9.3 kW kg-1, the energy density still remains 62 Wh kg-1. All these results demonstrate the promising potential of hierarchically porous Li3VO4 in lithium ion capacitors.

Poly[bis[μ-4-(4-carboxyphenoxybenzoato](μ-4,4′-oxydibenzoatobis[μ-3-(pyridin-4-yl-5-(pyridin-3-yl-1H-1,2,4-triazole]dicadmium(II

Directory of Open Access Journals (Sweden)

Xiao-Jin Qi

2016-07-01

Full Text Available Three kinds of bridging ligands, 4,4′-oxydibenzoate, 4-(4-carboxyphenoxybenzoate and 3-(pyridin-4-yl-5-(pyridin-3-yl-1H-1,2,4-triazole, link the CdII cations to form the title polymeric complex, [Cd2(C14H8O5(C14H9O52(C12H9N52]n, in which each CdII cation is in a distorted N2O5 pentagonal–bipyramidal coordination geometry. The 4,4′-oxydibenzoate dianion exhibits point group symmetry 2, with the central O atom located on a twofold rotation axis. Classical N—H...O, O—H...N hydrogen bonds and weak C—H...O hydrogen bonds link the complex molecules into a three-dimensional supramolecular architecture. A solvent-accessible void of 53 (2 Å3 is observed, but no solvent molecule could reasonably located there.

Rapid ammonia gas transport accounts for futile transmembrane cycling under NH3/NH4+ toxicity in plant roots.

Science.gov (United States)

Coskun, Devrim; Britto, Dev T; Li, Mingyuan; Becker, Alexander; Kronzucker, Herbert J

2013-12-01

Futile transmembrane NH3/NH4(+) cycling in plant root cells, characterized by extremely rapid fluxes and high efflux to influx ratios, has been successfully linked to NH3/NH4(+) toxicity. Surprisingly, the fundamental question of which species of the conjugate pair (NH3 or NH4(+)) participates in such fluxes is unresolved. Using flux analyses with the short-lived radioisotope (13)N and electrophysiological, respiratory, and histochemical measurements, we show that futile cycling in roots of barley (Hordeum vulgare) seedlings is predominately of the gaseous NH3 species, rather than the NH4(+) ion. Influx of (13)NH3/(13)NH4(+), which exceeded 200 µmol g(-1) h(-1), was not commensurate with membrane depolarization or increases in root respiration, suggesting electroneutral NH3 transport. Influx followed Michaelis-Menten kinetics for NH3 (but not NH4(+)), as a function of external concentration (Km = 152 µm, Vmax = 205 µmol g(-1) h(-1)). Efflux of (13)NH3/(13)NH4(+) responded with a nearly identical Km. Pharmacological characterization of influx and efflux suggests mediation by aquaporins. Our study fundamentally revises the futile-cycling model by demonstrating that NH3 is the major permeating species across both plasmalemma and tonoplast of root cells under toxicity conditions.

Neodymium-doped Sr5(PO4)3F and Sr5(VO4)3F

International Nuclear Information System (INIS)

Corker, D.L.; Nicholls, J.; Loutts, G.B.

1995-01-01

Neodymium-doped Sr 5 (PO 4 ) 3 F [neodymium strontium fluoride phosphate, (Nd,Sr) 5 (PO 4 ) 3 F] and neodymium-doped Sr 5 (VO 4 ) 3 F [neodymium strontium fluoride vanadate, (Nd,Sr) 5 (VO 4 ) 3 F] crystallize in space group P6 3 /m and are isostructural with calcium fluorophosphate, Ca 5 (PO 4 ) 3 F. There are two different Sr sites in Sr 5 (XO 4 ) 3 F, denoted Sr(1) and Sr(2). Using single-crystal X-ray diffraction the two structures were refined to R factors of 2.3 and 2.2%, respectively, showing that Nd is present at both Sr sites in (Sr,Nd) 5 (VO 4 ) 3 F but only at the Sr(2) site in (Sr,Nd) 5 (PO 4 ) 3 F. (orig.)

Electrical properties and conduction mechanism of [C2H5NH3]2CuCl4 compound

Science.gov (United States)

Mohamed, C. Ben; Karoui, K.; Jomni, F.; Guidara, K.; Rhaiem, A. Ben

2015-02-01

The [(C2H5)NH3]2CuCl4 compound was prepared and characterized by several technique: the X-ray powder diffraction confirms the purity of the synthetized compound, the differential scanning calorimetric show several phase transitions at 236 K, 330 K, 357 K and 371 K, the dialectical properties confirms the ferroelectric-paraelectric phase transition at 238 K, which is reported by V. Kapustianyk et al. (2007) [1]. The two semi-circles observed in the complex impedance identify the presence of the grain interior and grain boundary contributions to the electrical response in this material. The equivalent circuit is modeled by a combination series of two parallel RP-CPE circuits. The temperature dependence of the alternative current conductivity (σg) and direct current conductivity (σdc) confirm the observed transitions in the calorimetric study. The (AC) electrical conduction in [(C2H5)NH3]2CuCl4 was studied by two processes that can be attributed to a hopping transport mechanism: the non-overlapping small polaron tunneling (NSPT) model in phase III and the correlated barrier hopping (CBH) model in phases I, II, IV, V and VI.

Scintillation properties of (C sub 6 H sub 1 sub 3 NH sub 3) sub 2 PbI sub 4 Exciton luminescence of an organic/inorganic multiple quantum well structure compound induced by 2.0 MeV protons

CERN Document Server

Shibuya, K; Takeoka, Y; Asai, K

2002-01-01

We report a new type of scintillator especially suitable for pulse-radiation detection. Thin films of organic/inorganic perovskite compound (n-C sub 6 H sub 1 sub 3 NH sub 3) sub 2 PbI sub 4 , which is characterized by a multiple quantum well structure, were bombarded by 2.0 MeV protons, and their radiation-induced emission spectra were obtained. A single and sharp emission peak due to an exciton was observed at the wavelength of 524 nm. This emission was clearly detected even at room temperature, and its quantum efficiency was very high. The line shape of this emission did not change, retaining its sharpness, and no other emissions appeared throughout the irradiation. The optical response of (n-C sub 6 H sub 1 sub 3 NH sub 3) sub 2 PbI sub 4 is very fast. (n-C sub 6 H sub 1 sub 3 NH sub 3) sub 2 PbI sub 4 is a promising scintillator material, meeting requirements not satisfied by conventional scintillators.

Sequence of phase transitions in (NH4)3SiF7.

Science.gov (United States)

Mel'nikova, S V; Molokeev, M S; Laptash, N M; Pogoreltsev, E I; Misyul, S V; Flerov, I N

2017-02-21

Single crystals of silicon double salt (NH 4 ) 3 SiF 7 = (NH 4 ) 2 SiF 6 ·NH 4 F = (NH 4 ) 3 [SiF 6 ]F were grown and studied by the methods of polarization optics, X-ray diffraction and calorimetry. A sequence of symmetry transformations with the temperature change was established: P4/mbm (Z = 2) (G 1 ) ↔ Pbam (Z = 4) (G 2 ) ↔ P2 1 /c (Z = 4) (G 3 ) ↔ P1[combining macron] (Z = 4) (G 4 ) ↔ P2 1 /c (Z = 8) (G 5 ). Crystal structures of different phases were determined. The experimental data were also interpreted by a group-theoretical analysis of the complete condensate of order parameters taking into account critical and noncritical atomic displacements. Strengthening of the N-HF hydrogen bonds can be a driving force of the observed phase transitions.

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

Multifunctional Eu3+- and Er3+/Yb3+-doped GdVO4 nanoparticles synthesized by reverse micelle method.

Science.gov (United States)

Gavrilović, Tamara V; Jovanović, Dragana J; Lojpur, Vesna; Dramićanin, Miroslav D

2014-02-27

Synthesis of Eu(3+)- and Er(3+)/Yb(3+)-doped GdVO4 nanoparticles in reverse micelles and their multifunctional luminescence properties are presented. Using cyclohexane, Triton X-100, and n-pentanol as the oil, surfactant, and co-surfactant, respectively, crystalline nanoparticles with ~4 nm diameter are prepared at low temperatures. The particle size assessed using transmission electron microscopy is similar to the crystallite size obtained from X-ray diffraction measurements, suggesting that each particle comprises a single crystallite. Eu(3+)-doped GdVO4 nanoparticles emit red light through downconversion upon UV excitation. Er(3+)/Yb(3+)-doped GdVO4 nanoparticles exhibit several functions; apart from the downconversion of UV radiation into visible green light, they act as upconvertors, transforming near-infrared excitation (980 nm) into visible green light. The ratio of green emissions from (2)H11/2 → (2)I15/2 and (4)S3/2 → (4)I15/2 transitions is temperature dependent and can be used for nanoscale temperature sensing with near-infrared excitation. The relative sensor sensitivity is 1.11%K(-1), which is among the highest sensitivities recorded for upconversion-luminescence-based thermometers.

Multifunctional Eu3+- and Er3+/Yb3+-doped GdVO4 nanoparticles synthesized by reverse micelle method

Science.gov (United States)

Gavrilović, Tamara V.; Jovanović, Dragana J.; Lojpur, Vesna; Dramićanin, Miroslav D.

2014-02-01

Synthesis of Eu3+- and Er3+/Yb3+-doped GdVO4 nanoparticles in reverse micelles and their multifunctional luminescence properties are presented. Using cyclohexane, Triton X-100, and n-pentanol as the oil, surfactant, and co-surfactant, respectively, crystalline nanoparticles with ~4 nm diameter are prepared at low temperatures. The particle size assessed using transmission electron microscopy is similar to the crystallite size obtained from X-ray diffraction measurements, suggesting that each particle comprises a single crystallite. Eu3+-doped GdVO4 nanoparticles emit red light through downconversion upon UV excitation. Er3+/Yb3+-doped GdVO4 nanoparticles exhibit several functions; apart from the downconversion of UV radiation into visible green light, they act as upconvertors, transforming near-infrared excitation (980 nm) into visible green light. The ratio of green emissions from 2H11/2 --> 2I15/2 and 4S3/2 --> 4I15/2 transitions is temperature dependent and can be used for nanoscale temperature sensing with near-infrared excitation. The relative sensor sensitivity is 1.11%K-1, which is among the highest sensitivities recorded for upconversion-luminescence-based thermometers.

Re-dispersion and film formation of GdVO4 :  Ln3+ (Ln3+ = Dy3+, Eu3+, Sm3+, Tm3+) nanoparticles: particle size and luminescence studies.

Science.gov (United States)

Shanta Singh, N; Ningthoujam, R S; Phaomei, Ganngam; Singh, S Dorendrajit; Vinu, A; Vatsa, R K

2012-04-21

GdVO(4) : Ln(3+) (Ln(3+) = Dy(3+), Eu(3+), Sm(3+), Tm(3+)) nanoparticles are prepared by a simple chemical route at 140 °C. The crystallite size can be tuned by varying the pH of the reaction medium. Interestingly, the crystallite size is found to increase significantly when pH increases from 6 to 12. This is related to slower nucleation of the GdVO(4) formation with increase of VO(4)(3-) present in solution. The luminescence study shows an efficient energy transfer from vanadate absorption of GdVO(4) to Ln(3+) and thereby enhanced emissions are obtained. A possible reaction mechanism at different pH values is suggested in this study. As-prepared samples are well dispersed in ethanol, methanol and water, and can be incorporated into polymer films. Luminescence and its decay lifetime studies confirm the decrease in non-radiative transition probability with the increase of heat treatment temperature. Re-dispersed particles will be useful in potential applications of life science and the film will be useful in display devices.

Infrared spectra of the ammonium ion in ammonium hexavanadate (NH 4) 2V 6O 16

Science.gov (United States)

de Waal, D.; Heyns, A. M.; Range, K.-J.; Eglmeier, C.

The infrared bands of the NH +4 and ND +4 groups in (NH 4) 2V 6O 16 and its deuterated analogue can be assigned with a fair amount of certainty at 90 K under the space group P2 1/ m( C22 h). The ND stretching modes of isotopically dilute NH 3D + ions in the crystal are in agreement with the predicted splitting into Cs, Cs and C1(2) components. The frequencies, shapes and temperature dependence of these modes suggest that both normal and bifurcated hydrogen bonds are formed. The latter closely resembles corresponding bonds in NH 4VO 3, but the normal hydrogen bonds are not as strong as the similar bonds in NH 4VO 3. This can be expected as NH +4 ions are dynamic in character in (NH 4) 2V 6O 16 and remain so down to temperatures of 90 K.

High-pressure pyrolysis study of C sub 3 N sub 6 H sub 6 : a route to preparing bulk C sub 3 N sub 4

CERN Document Server

Ma, H A; Chen, L X; Zhu, P W; Guo, W L; Guo, X B; Wang, Y D; Li, S Q; Zou Guang Tian; Zhang, G; Bex, P

2002-01-01

In order to prepare bulk C sub 3 N sub 4 , high-pressure pyrolysis of melamine (C sub 3 N sub 6 H sub 6) at different temperatures was carried out. The products were characterized by C, N, H element analysis, Fourier transform infrared spectroscopy, x-ray photoelectron spectroscopy, and x-ray diffractometry. The results of the analysis reveal that graphitic phase C sub 3 N sub 4 has been synthesized. It provides a novel route to synthesis of the theoretical superhard cubic C sub 3 N sub 4 and other C sub 3 N sub 4 phases from organic compounds by a high-pressure and high-temperature method.

Effect of interactions between carbon dioxide enrichment and NH4+/NO3- ratio on pH of culturing nutrient solution,growth and vigor of tomato root system

Institute of Scientific and Technical Information of China (English)

Juan LI; Jianmin ZHOU

2008-01-01

A growth chamber experiment was conducted to investigate the influence of NH4+/NO3- ratio and elevated CO2 concentration on the pH in nutrient solution,growth and root vigor system of tomato seedling roots,which attempts to understand whether the elevated CO2 concentration can alleviate the harmful effects of higher NH4+-N concentration in nutrient solutions on the tomato root system.Tomato (Lycopersicon esculenturn Mill.var.Hezuo 906) was grown in pots with nutrient solutions varying in NH4+/NO3- ratio (0:1,1:3,1:1,3:1and 1:0) and the growth chambers were supplied with with the growth process and CO2 concentration increased.At both CO2 levels,pH increased when 100% NO3--N was supplied and decreased in other treatments.The pH decrease in the nutrient solution was directly correlated to the NH4+-N proportion.The pH value was more reduced in 100% NH4+-N nutrient solution than increased in the 100% NO3--N nutrient solution.CO2 enrichment increased the dry weight of shoots and roots,root vigor system,total absorbing area and active absorbing area of tomato seedlings.All the measurement indexes above were increased in the elevated CO2 concentration treatment with the NO3- proportion increase in the nutrient solutions.Thus,under the elevated CO2 concentration,the dry weights of shoots and roots,root vigor system,total root absorbing area and active absorbing area were found to be inversely correlated to NH4+/NO3- ratio,leading to about 65.8%,78.0%,18.9%,12.9% and 18.9% increase,respectively,compared with that under the ambient CO2 concentration.Our results indicated that tomato seedling roots may benefit mostly from CO2 enrichment when 100% NO3--N nutrient solutions was supplied,but the CO2 concentration elevation did not alleviate the harmful effects when 100% NHa+-N was supplied.

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

[6-chloro-3-pyridylmethyl-{sup 3}H]neonicotinoids as high-affinity radioligands for the nicotinic acetylcholine receptor: preparation using NaB{sup 3}H{sub 4} and LiB{sup 3}H{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Latli, Bachir; Casida, J.E. [California Univ., Berkeley, CA (United States). Dept. of Environmental Science Policy and Management; Chit Than; Morimoto, Hiromi; Williams, P.G. [Lawrence Berkeley National Lab., CA (United States)

1996-11-01

NaB{sup 3}H{sub 4} and LiB{sup 3}H{sub 4} at 78% and 97% isotopic enrichments, respectively, were used in the synthesis of {sup 3}H-labeled 1-(6-chloro-3-pyridyl)-methyl-2-nitromethyleneimidazolidine (CH-IMI) and N`-[(6-chloro-3-pyridyl)methyl]-n``-cyano-n`-methylacetamidine (acetamiprid) (two very potent insecticides) and of 1-(6-chloro-3-pyridyl)methyl-2-iminoimidazolidine (desnitro-IMI) (a metabolite of the commercial insecticides imidacloprid). 6-Chloronicotinoyl chloride was treated with either NaB{sup 3}H{sub 4} in methanol or LiB{sup 3}H{sub 4} in tetrahydrofuran and the resulting alcohol transformed to 2-chloro-5-chloromethylpyridine, which was then coupled to N-cyano-N`-methylacetamidine to give [{sup 3}H] acetamiprid (45 Ci/mmol). 2-Chloro-5-chloro[{sup 3}H]methylpyridine was also reacted with ethylenediamine and the product was either refluxed in absolute ethanol with 1,1-bis(methylthio)-2-nitro-ethylene to provide [{sup 3}H]CH-IMI or reacted in toluene with a solution of cyanogen bromide to produce [{sup 3}H] desnitro-IMI (each 55 Ci/mmol). (author).

Formation of condensed phosphates when heating CdO with NH4H2PO4

International Nuclear Information System (INIS)

Atstinya, L.Zh.; Dindune, A.P.; Konstant, Z.A.

1987-01-01

A study was made on process of CdO thermal condensation with NH 4 H 2 PO 4 depending on the ratio of basic substances and temperature synthesis conditions. It was established that reaction between CdO and NH 4 H 2 PO 4 of pure for analysis grade was initiated when basic mixtures were pounded with a pestle. Heating of cadmium-ammonium triphosphate with products of ammonium dihydrophosphate polycondensation in 330-350 deg C range resulted to CdNH 4 (PO 3 ) 3 formation. Exoeffect on DTA curves corresponded at 540 deg C to formation of α-Cd(PO 3 ) 2 . α-Cd(PO 3 ) 2 → β-Cd(PO 3 ) 2 transition took place at 810 deg C with successive melting of β-Cd(PO 3 ) 2 at 850 deg C, which was supported by the DTA curve and sharp change of the relative electric conductivity

Structure of (NH4)3H(SeO4)2 in high-temperature phases I and II

International Nuclear Information System (INIS)

Lukaszewicz, K.; Pietraszko, A.; Augustyniak, M.A.

1993-01-01

Triammonium hydrogenbis(tetraoxoselenate), (NH 4 ) 3 H(SeO 4 ) 2 , M r =341.04, Z=3, λ(Mo K anti α)=0.71073 A, F(000)=498. Phase I: trigonal, R anti 3m, a=6.090(1), c=22.759(5) A, V=731.0(2) A 3 , D x =2.32 g cm -3 , μ=68.7 cm -1 , T=355 K, R=0.0336 for 241 unique reflections with I>4σ(I). Phase II: trigonal, R anti 3, a=6.064(1), c=22.904(5) A, V=729.4(2) A 3 , D x =2.33 g cm -3 , μ=68.8 cm -1 , T=310 K, R=0.0374 for 397 unique reflections with I>4σ(I). In both phases, SeO 4 tetrahedra are linked by a dynamic system of symmetrically disordered hydrogen bonds in planes perpendicular to the trigonal axis. In phase II, SeO 4 tetrahedra deviate from the (210) plane owing to a small rotation of about 4 about the trigonal axis. In phase I, owing to symmetry enhancement, both orientations of SeO 4 tetrahedra are equally probable on both sides of (210), which is therefore a mirror plane. (orig.)

(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

Synthesis and properties of ternary (K, NH4, H3O)-jarosites precipitated from Acidithiobacillus ferrooxidans cultures in simulated bioleaching solutions

International Nuclear Information System (INIS)

Sandy Jones, F.; Bigham, Jerry M.; Gramp, Jonathan P.; Tuovinen, Olli H.

2014-01-01

The purpose of this study was to synthesize a series of solid solution jarosites by biological oxidation of ferrous iron at pH 2.2–4.4 and ambient temperature in media containing mixtures of K + (0, 1, 4, 6, 12, 31 mM) and NH 4 + (6.1, 80, 160, 320 mM). The starting material was a liquid medium for Acidithiobacillus ferrooxidans comprised of 120 mM FeSO 4 solution and mineral salts at pH 2.2. Following inoculation with A. ferrooxidans, the cultures were incubated in shake flasks at 22 °C. As bacteria oxidized ferrous iron, ferric iron hydrolyzed and precipitated as jarosite-group minerals (AFe 3 (SO 4 ) 2 (OH) 6 ) and/or schwertmannite (idealized formula Fe 8 O 8 (OH) 6 (SO 4 )·nH 2 O). The precipitates were characterized by X-ray diffraction (XRD), elemental analysis, and Munsell color. Schwertmannite was the dominant mineral product at low combinations of K + (≤ 4 mM) and NH 4 + (≤ 80 mM) in the media. At higher single or combined concentrations, yellowish jarosite phases were produced, and Munsell hue provided a sensitive means of detecting minor schwertmannite in the oxidation products. Although the hydrated ionic radii of K + and NH 4 + are similar, K + greatly facilitated the formation of a jarosite phase compared to NH 4 + . Unit cell and cell volume calculations from refinements of the powder XRD patterns indicated that the jarosite phases produced were mostly ternary (K, NH 4 , H 3 O)-solid solutions that were also deficient in structural Fe, especially at low NH 4 contents. Thus, ferric iron precipitation from the simulated bioleaching systems yielded solid solutions of jarosite with chemical compositions that were dependent on the relative concentrations of K + and NH 4 + in the synthesis media. No phase separations involving discrete, end-member K-jarosite or NH 4 -jarosite were detected in the un-aged precipitates. - Highlights: • Fe(III) precipitates formed in A. ferrooxidans culture solutions were characterized. • The monovalent cation

Tetraammineplatinum(II) aquapentachloroiridate(III) dihydrate, [Pt(NH3)4][IrCl5(H2O)

International Nuclear Information System (INIS)

Garnier, E.; Bele, M.

1994-01-01

The crystal is built up from planar Pt(NH 3 ) 4 2+ cations, octahedral IrCl 5 (H 2 O) 2- anions and two H 2 O molecules. The coordination of these ions is 6/6, thus leading to a NaCl crystal structure. Electrostatic interactions and N..Cl, N..O and N..N short contacts (possible hydrogen bonds) take part in the packing of the structure and form a three-dimensional network. (orig.)

NQR and X-ray crystal structure studies of cadmium halide complexes: [C(NH{sub 2}){sub 3}]CdI{sub 3} and [4-ClC{sub 6}H{sub 5}NH{sub 3}]{sub 3}CdBr{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Gesing, Thorsten M.; Lork, Enno [Bremen Univ. (Germany). MAPEX Center for Material and Processes; Terao, Hiromitsu [Tokushima Univ. (Japan). Faculty of Integrated Arts and Sciences; Ishihara, Hideta [Saga Univ. (Japan). Faculty of Culture and Education

2016-05-01

The crystal structures of [C(NH{sub 2}){sub 3}]CdI{sub 3} (1) and [4-ClC{sub 6}H{sub 5}NH{sub 3}]{sub 3}CdBr{sub 5} (2) have been determined at 100 K: monoclinic, Cc, a = 828.75(3) pm, b = 1615.31(5) pm, c = 810.64(3) pm, and β = 106.5820(10) for 1; monoclinic, P2{sub 1}/c, a = 1486.93(5) pm, b = 794.31(3) pm, c = 2290.59(7) pm, and β = 99.6830(10) for 2. The structure of 1 has an infinite chain of anions consisting of [CdI{sub 4}] tetrahedra sharing two corners. The structure of 2 has an infinite chain of anions consisting of [CdBr{sub 6}] octahedra sharing two corners in cis positions. In both structures, isolated cations are connected to the anion chains through weak hydrogen bonds Cd-X..H to result in three-dimensional network structures. In accordance with the crystal structures, three {sup 127}I (m = ±1/2 <-> m = ±3/2), five {sup 81}Br, and three {sup 35}Cl nuclear quadrupole resonance (NQR) lines were observed for 1 and 2. The NQR spectra reflect the anion chain structures and their weak hydrogen bonds. The MO calculations of the models [Cd{sub 5}I{sub 16}]{sup 6-} for 1 and [Cd{sub 3}Br{sub 16}]{sup 10-} for 2 estimate only about half the values for the NQR frequencies but give accurate electric field gradient directions.

Bluish-white-light-emitting diodes based on two-dimensional lead halide perovskite (C6H5C2H4NH3)2PbCl2Br2

Science.gov (United States)

Cai, Peiqing; Wang, Xiangfu; Seo, Hyo Jin; Yan, Xiaohong

2018-04-01

Bluish-white-light-emitting diodes (BWLEDs) are designed based on the two-dimensional mixed halide perovskite (C6H5C2H4NH3)2PbCl2Br2 at room temperature. Bluish-white electroluminescence devices were fabricated by a spin-coating method. The BWLEDs can be turned on at 4.9 V and depict a maximum luminance of ˜70 cd/m2 at 7 V. Low and room temperature photoluminescence spectra show the coexistence of free exciton and self-trapped exciton luminescence in a deformable lattice. The strategy of achieving white electroluminescence (EL) from mixed halide perovskite reported here can be applied to other two-dimensional perovskites to increase the optoelectronic efficiency of the device in the future.

Pressureless sintering of dense Si3N4 and Si3N4/SiC composites with nitrate additives

International Nuclear Information System (INIS)

Kim, J.Y.; Iseki, Takayoshi; Yano, Toyohiko

1996-01-01

The effect of aluminum and yttrium nitrate additives on the densification of monolithic Si 3 N 4 and a Si 3 N 4 /SiC composite by pressureless sintering was compared with that of oxide additives. The surfaces of Si 3 N 4 particles milled with aluminum and yttrium nitrates, which were added as methanol solutions, were coated with a different layer containing Al and Y from that of Si 3 N 4 particles milled with oxide additives. Monolithic Si 3 N 4 could be sintered to 94% of theoretical density (TD) at 1,500 C with nitrate additives. The sintering temperature was about 100 C lower than the case with oxide additives. After pressureless sintering at 1,750 C for 2 h in N 2 , the bulk density of a Si 3 N 4 /20 wt% SiC composite reached 95% TD with nitrate additives

New homo- and heteroleptic derivatives of trivalent ytterbium containing anion-radical 1,4-diazadiene ligands. Synthesis, properties and crystal structure of (C9H7)2Yb[2-MeC6H4NC(Me)C(Me)NC6H4Me-2] and [PhNC(Ph)C(Ph)NPh]3Yb complexes

International Nuclear Information System (INIS)

Gudilenkov, I.D.; Fukin, G.K.; Cherkasov, A.V.; Shavyrin, A.S.; Trifonov, A.A.; Larionova, Yu.E.

2008-01-01

Reaction of ytterbium bisindenyl complex (C 9 H 7 ) 2 Yb II (THF) 2 (1) with 1,4-diazabutadiene 2-MeC 6 H 4 N=C(Me)-C(Me)=NC 6 H 4 Me-2 ( Me DAD) is accompanied by the oxidation of metal atom until trivalent state and results in the formation of paramagnetic compound of metallocenes type (C 9 H 7 ) 2 Yb III ( Me DAD -. ) (3) containing 1,4-diazabutadiene anion-radical. Structure of complex 3 is ascertained by the X-ray structure analysis. Reactions of bisindenyl (1) and bisfluorenyl (C 13 H 9 ) 2 Yb II (THF) 2 (2) derivatives of bivalent ytterbium with 1,4-diazabutadiene PhN=C(Ph)-C(Ph)=NPh ( Ph DAD) (at 1:2 molar ratio of reagents) proceed with the complete break of Yb-C bonds, oxidation of ytterbium atom until trivalent state, and result in the formation of homoligand complex ( Ph DAD -. ) 3 Yb (6) containing three anion-radical 1,4-diazadiene ligands. Complex 6 was also prepared by the exchange reaction of YbCl 3 with Ph DAD -. K + (1:3) in THF. Complex 6 is characterized by the X-ray structure analysis [ru

X-ray and neutron single-crystal diffraction on [Rbx(NH4)1-x]3H(SO4)2. I. Refinement of crystal structure of phase II with x=0.11 at 300 K

International Nuclear Information System (INIS)

Loose, A.; Wozniak, K.; Dominiak, P.; Smirnov, L.S.; Natkaniec, I.; Frontas'eva, M.V.; Pomyakushina, E.V.; Baranov, A.I.; Dolbinina, V.V

2006-01-01

The study of [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals by X-ray single-crystal diffraction is known up to now only for x=0.57 at the temperatures 293 and 180 K. The crystal structures at these temperatures as was determined [1] belong to monoclinic phase II (C2/c sp. gr., Z=4). In accordance with this work, ammonium ions should be considered as deformed tetrahedra. Monoclinic phase II on the x-T phase diagram of [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals, which has earlier been determined by the dielectric spectroscopy, is stabilized below room temperature if Rb concentration exceeds 9%. The presented results of X-ray and neutron single-crystal diffraction of the [Rb 0.11 (NH 4 ) 0.89 ] 3 H(SO 4 ) 2 mixed crystal at T= 300 K show that ammonium ions could be considered as regular tetrahedra

Synthesis and crystal structure of triammine pentafluorido tantalum(V) [TaF{sub 5}(NH{sub 3}){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Baer, Sebastian A.; Kraus, Florian [Department Chemie, Technische Universitaet Muenchen, Lichtenbergstrasse 4, 85747 Garching (Germany); Lozinsek, Matic [Department of Inorganic Chemistry and Technology, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia)

2013-07-01

[Sr(HF){sub 3}(TaF{sub 6}){sub 2}] reacts with liquid ammonia under the formation of colorless crystals of triammine pentafluorido tantalum(V) [TaF{sub 5}(NH{sub 3}){sub 3}] (1). The structure was elucidated by low-temperature X-ray structure analysis. Compound 1 crystallizes in the monoclinic space group P2{sub 1}/c with a = 5.1525(6), b = 11.736(1), c = 10.171(1) Aa, β = 94.843(9) , V = 612.8(1) Aa{sup 3} at 123 K with Z = 4. Its structure displays discrete TaF{sub 5}(NH{sub 3}){sub 3} molecules, which are interconnected by N-H..F hydrogen bonds to form a complex three-dimensional network. The title compound is a rare example of a neutral, molecular, eight-coordinate tantalum species. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Synthesis of Novel 2-(Substituted aminoalkylthiopyrimidin-4(3H-ones as Potential Antimicrobial Agents

Directory of Open Access Journals (Sweden)

Mohamed I. Attia

2013-12-01

Full Text Available 5-Alkyl-6-(substituted benzyl-2-thiouracils 3a,c were reacted with (2-chloroethyl diethylamine hydrochloride to afford the corresponding 2-(2-diethylaminoethylthiopyrimidin- 4(3H-ones 4a,b. Reaction of 3a–c with N-(2-chloroethylpyrrolidine hydrochloride and/or N-(2-chloroethylpiperidine hydrochloride gave the corresponding 2-[2-(pyrrolidin-1-ylethyl]-thiopyrimidin-4(3H-ones 5a–c and 2-[2-(piperidin-1-ylethyl]thiopyrimidin-4(3H-ones 6a,b, respectively. Treatment of 3a–d with N-(2-chloroethylmorpholine hydrochloride under the same reaction conditions formed the corresponding 2-[2-(morpholin-4-ylethyl]thiopyrimidines 6c–f. On the other hand, 3a,b were reacted with N-(2-bromoethylphthalimide and/or N-(3-bromopropylphthalimide to furnish the corresponding 2-[2-(N-phthalimidoethyl]-pyrimidines 7a,b and 2-[3-(N-phthalimido-propyl]pyrimidines 7c,d, respectively. Compounds 3a–d, 4a,b, 5a–c, 6a–f and 7a–d were screened against Gram-positive bacteria (Staphylococcus aureus ATCC 29213, Bacillus subtilis NRRL 4219 and Bacillus cereus, yeast-like pathogenic fungus (Candida albicans ATCC 10231 and a fungus (Aspergillusniger NRRL 599. The best antibacterial activity was displayed by compounds 3a, 3b, 4a, 5a, 5b, 6d, 6f, 7b and 7d, whereas compounds 4b, 5b, 5c, 6a, 6b and 6f exhibited the best antifungal activity.

Catalysts for selective hydrogenation of furfural derived from the double complex salt [Pd(NH 3 ) 4 ](ReO 4 ) 2 on γ-Al 2 O 3

Energy Technology Data Exchange (ETDEWEB)

Thompson, Simon T.; Lamb, H. Henry

2017-06-01

The double complex salt [Pd(NH3)4](ReO4)2 was employed as precursor of supported bimetallic catalysts for selective hydrogenation of furfural. Direct reduction of [Pd(NH3)4](ReO4)2 on γ-Al2O3 in flowing H2 at 400 °C yields bimetallic nanoparticles 1–2 nm in size that exhibit significant interaction between the metals, as evidenced by temperature-programmed hydride decomposition (complete suppression of β-PdHx formation), extended X-ray absorption fine structure spectroscopy at the Pd K and Re LIII edges (PdRe distance = 2.72 Å), and scanning transmission electron microscopy with energy dispersive X-ray analysis. In contrast, calcination of [Pd(NH3)4](ReO4)2 on γ-Al2O3 at 350 °C in air and subsequent reduction in H2 at 400 °C results in metal segregation and formation of large (>50 nm) supported Pd particles; Re species cover the Pd particles and γ-Al2O3 support. A PdRe 1:2 catalyst prepared by sequential impregnation and calcination using HReO4 and [Pd(NH3)4](NO3)2 has a similar morphology. The catalyst derived by direct reduction of [Pd(NH3)4](ReO4)2 on γ-Al2O3 exhibits remarkably high activity for selective hydrogenation of furfural to furfuryl alcohol (FAL) at 150 °C and 1 atm. Suppression of H2 chemisorption via elimination of Pd threefold sites, as evidenced by CO diffuse-reflectance infrared Fourier transform spectroscopy, correlates with increased FAL selectivity.

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

Biochar produced from oak sawdust by Lanthanum (La)-involved pyrolysis for adsorption of ammonium (NH4(+)), nitrate (NO3(-)), and phosphate (PO4(3-)).

Science.gov (United States)

Wang, Zhanghong; Guo, Haiyan; Shen, Fei; Yang, Gang; Zhang, Yanzong; Zeng, Yongmei; Wang, Lilin; Xiao, Hong; Deng, Shihuai

2015-01-01

A series of biochars were prepared by pyrolyzing oak sawdust with/without LaCl3 involvement at temperature of 300-600 °C, and approximate and ultimate analyses were carried out to check their basic characteristics. Meanwhile, the releases of readily soluble NH4(+), NO3(-) and PO4(3-) from biochars and the adsorption of NH4(+), NO3(-) and PO4(3-) by biochars were investigated. Results indicated that the involvement of LaCl3 in pyrolysis could advance the temperature of maximum mass loss by 10 °C compared with oak sawdust (CK), and potentially promoted biochar yield. Overall, the releases of readily soluble NH4(+), NO3(-) and PO4(3-) from biochars were negatively related to pyrolysis temperature, and the releases were greatly weakened by La-biochars. Additionally, the adsorption to NH4(+) can be promoted by the biochars produced at low temperature. On the contrary, the NO3(-) adsorption can be improved by increasing pyrolysis temperature. The highest PO4(3-) adsorption was achieved by the biochars produced at 500 °C. According to the results of adsorption isotherms, the maximum adsorption capacity of NH4(+), NO3(-) and PO4(3-) can be significantly promoted by 1.9, 11.2, and 4.5 folds using La-biochars. Based on the observations of FT-IR, SEM-EDS, and surface functional groups, the improvement of NH4(+) adsorption was potentially associated with the existing acidic function groups (phenolic-OH and carboxyl C=O). The increased basic functional groups on La-biochars were beneficial to improve NO3(-) and PO4(3-) adsorption. Besides, PO4(3-) adsorption was also potentially related to the formed La2O3. Copyright © 2014 Elsevier Ltd. All rights reserved.

Rapid Ammonia Gas Transport Accounts for Futile Transmembrane Cycling under NH3/NH4+ Toxicity in Plant Roots1[C][W

Science.gov (United States)

Coskun, Devrim; Britto, Dev T.; Li, Mingyuan; Becker, Alexander; Kronzucker, Herbert J.

2013-01-01

Futile transmembrane NH3/NH4+ cycling in plant root cells, characterized by extremely rapid fluxes and high efflux to influx ratios, has been successfully linked to NH3/NH4+ toxicity. Surprisingly, the fundamental question of which species of the conjugate pair (NH3 or NH4+) participates in such fluxes is unresolved. Using flux analyses with the short-lived radioisotope 13N and electrophysiological, respiratory, and histochemical measurements, we show that futile cycling in roots of barley (Hordeum vulgare) seedlings is predominately of the gaseous NH3 species, rather than the NH4+ ion. Influx of 13NH3/13NH4+, which exceeded 200 µmol g–1 h–1, was not commensurate with membrane depolarization or increases in root respiration, suggesting electroneutral NH3 transport. Influx followed Michaelis-Menten kinetics for NH3 (but not NH4+), as a function of external concentration (Km = 152 µm, Vmax = 205 µmol g–1 h–1). Efflux of 13NH3/13NH4+ responded with a nearly identical Km. Pharmacological characterization of influx and efflux suggests mediation by aquaporins. Our study fundamentally revises the futile-cycling model by demonstrating that NH3 is the major permeating species across both plasmalemma and tonoplast of root cells under toxicity conditions. PMID:24134887

X-ray diffraction, vibrational and photoluminescence studies of the self-organized quantum well crystal H3N(CH2)6NH3PbBr4

International Nuclear Information System (INIS)

Dammak, T.; Fourati, N.; Boughzala, H.; Mlayah, A.; Abid, Y.

2007-01-01

We have prepared new semiconductor H 3 N(CH 2 ) 6 NH 3 PbBr 4 crystals which are self-assembled organic-inorganic hybrid materials. The grown crystals have been studied by X-ray diffraction, infrared absorption and Raman spectroscopy scattering. We found that the title compound, abbreviated 2C 6 PbBr 4 , crystallizes in a two-dimensional (2D) structure with a P2 1 /a space group. In the inorganic semiconductor sub-lattice, the corner sharing PbBr 6 octahedra form infinite 2D chains. The organic C 6 H 18 N 2 + ions form the insulator barriers between the inorganic semiconductor layers. Such a packing leads to a self-assembled multiple quantum well structure. Raman and infrared spectra of the title compound were recorded in the 50-500 and 400-4000 cm -1 frequency regions, respectively. The assignment of the observed Raman lines was performed by comparison with the homologous compounds. Transmission measurements on thin films of 2C 6 PbBr 4 , obtained by the spin coating method, revealed a strong absorption peak at 380 nm. Luminescence measurements showed an emission line at 402 nm associated with radiative recombinations of excitons confined within the PbBr 6 layers. The electron-hole binding energy is estimated at 180 meV

On the structural phase transitions of the perovskite-type layer structures (Csub(n)Hsub(2n+1)NH3)2MeCl4

International Nuclear Information System (INIS)

Heger, G.

1978-01-01

The perovskite-type layer compounds (Csub(n)Hsub(2n+1)NH 3 ) 2 MeCl 4 show a variety of different structural modifications. They differ from oneanother by the order and dynamical behaviour of the CH 3 -CH 2 -...-CH 2 -NH 3 chain molecules and the [MeCl 6 ] octahedra layers. These two structural members are coupled together by N-H...Cl hydrogen bonds. According to group theoretical relations the modifications of (Csub(n)Hsub(2n+1)NH 3 ) 2 MeCl 4 were ordered in the scheme of a 'family tree'. Taking (CH 3 NH 3 ) 2 MnCl 4 as an example, various experimental investigations incorporated neutron diffraction are reported. They lead to a sequence of phase transitions. For these phase transitions a model is developed based on the orientations of the CH 3 NH 3 dump-bell molecules and their interactions with the [MnCl 6 ] layers. (orig./HPOE) [de

NH4In(SeO4)2x4H2O crystal structure interpretation

International Nuclear Information System (INIS)

Soldatov, E.A.; Kuz'min, Eh.A.; Ilyukhin, V.V.

1979-01-01

The rhomb method has been applied to interpret the structure of monoclinic ammonium indium selenate NH 4 In(SeO 4 ) 2 x4H 2 O the elementary cell of which contains Z=4 formula units (a=10.728, b=9.434, c=11.086 A, γ=101.58). The space group is P2 1 /b. The structure foundation is composed of [In(SeO 4 ) 2 x2H 2 O] 1- mixed layers parallel to (100). ''Free'' H 2 O molecules and NH 4 + cations are situated between the layers

Inorganic-organic hybrid structure: Synthesis, structure and magnetic properties of a cobalt phosphite-oxalate, [C4N2H12][Co4(HPO3)2(C2O4)3

International Nuclear Information System (INIS)

Mandal, Sukhendu; Natarajan, Srinivasan

2005-01-01

A hydrothermal reaction of a mixture of cobalt (II) oxalate, phosphorous acid, piperazine and water at 150 o C for 96h followed by heating at 180 o C for 24h gave rise to a new inorganic-organic hybrid solid, [C 4 N 2 H 12 ][Co 4 (HPO 3 ) 2 (C 2 O 4 ) 3 ], I. The structure consists of edge-shared CoO 6 octahedra forming a [Co 2 O 10 ] dimers that are connected by HPO 3 and C 2 O 4 units forming a three-dimensional structure with one-dimensional channels. The amine molecules are positioned within these channels. The oxalate units have a dual role of connecting within the plane of the layer as well as out of the plane. Magnetic susceptibility measurement shows the compound orders antiferromagnetically at low temperature (T N =22K). Crystal data: I, monoclinic, space group=P2 1 /c (No. 14). a=7.614(15), b=7.514(14), c=17.750(3)A, β=97.351(3) o , V=1007.30(3)A 3 , Z=2, ρ calc =2.466g/cm 3 , μ (MoKα) =3.496mm -1 , R 1 =0.0310 and wR 2 =0.0807 data [I>2σ(I)

Electron paramagnetic resonance of gamma irradiated (CH3)3NHClO4 and CH3NH3ClO4 single crystals

International Nuclear Information System (INIS)

Yavuz, Metin; Koeksal, Fevzi

1999-01-01

Gamma irradiation damage centers in (CH 3 ) 3 NHClO 4 and CH 3 NH 3 ClO 4 single crystals have been investigated at room temperature by the electron paramagnetic resonance (EPR) technique. It has been found that γ-irradiation produces the (CH 3 ) 3 N + radical in the first, and NH + 3 and ClO 3 radicals in the second compound. The EPR parameters of the observed radicals have been determined and discussed

Speciation in the aqueous H+/H2VO4-/H2O2/citrate system of biomedical interest.

Science.gov (United States)

Gorzsás, András; Getty, Kendra; Andersson, Ingegärd; Pettersson, Lage

2004-09-21

The speciation in the quaternary aqueous H+/H2VO4-/H2O2/citrate (Cit3-) and H+/H2VO4-/Cit3-/L-(+)-lactate (Lac-) systems has been determined at 25 degrees C in the physiological medium of 0.150 M Na(Cl). A combination of 51V NMR integral intensities and chemical shift (Bruker AMX500) as well as potentiometric data (glass electrode) have been collected and evaluated with the computer program LAKE, which is able to treat multimethod data simultaneously. The pKa-values for citric acid have been determined as 2.94, 4.34 and 5.61. Altogether six vanadate-citrate species have been found in the ternary H+/H2VO4-/Cit3- system in the pH region 2-10, only two of which are mononuclear. Reduction of vanadium(V) becomes more pronounced at pH acidic solutions limited the final model to pH > 4. In the quaternary H+/H2VO4-/Cit3-/Lac- system, two mixed-ligand species have been determined, with the compositions V2CitLac2- and V2CitLac3- (pKa = 5.0). To our knowledge, this is the first time such complexes have been reported for vanadium(V). 51V NMR chemical shifts, compositions and formation constants are given, and equilibrium conditions are illustrated in distribution diagrams as well as the fit of the model to the experimental data. When suitable, structural proposals are given, based on 13C NMR measurements and available literature data of related compounds.

Structure determination of two structural analogs, named 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16F2N4S) and 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16ClFN4S) by synchrotron X-ray powder diffraction

Energy Technology Data Exchange (ETDEWEB)

Gündoğdu, Gülsüm; Aytaç, Sevim Peri; Müller, Melanie; Tozkoparan, Birsen; Kaynak, Filiz Betül

2017-12-01

Two novel compounds, 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C₂₃H₁₆F₂N₄S) (1) and 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C₂₃H₁₆ClFN₄S) (2), have been designed and synthesized as cytotoxic agents. The compounds were characterized by infrared, proton nuclear magnetic resonance, mass spectral data, elemental analysis and X-ray powder diffraction. The present study comprises spectral data and crystal structures of these novel compounds determined from synchrotron X-ray powder diffraction data. The structure solutions were obtained by simulated annealing. The final structures were achieved by Rietveld refinement using soft restraints for all bond lengths, bond angles, and planar groups. Both compounds crystallize in space group$P\\bar 1$,Z= 2, with the unit-cell parametersa= 6.37433(9),b= 11.3641(2),c= 14.09115(19) Å,α= 80.1740(8)°,β= 85.1164(8)°,γ= 80.9831(10)°,V= 991.55(3) ųof compound (1) anda= 6.53736(6),b= 11.55725(15),c= 14.01373(13) Å,α= 80.3323(7)°,β= 84.8939(6)°,γ= 79.3954(8)°,V= 1024.08(2) ųof compound (2). Structural analyses reveal that the title compounds are isostructural.

The Co-III-C bond in (1-thia-4,7-diazacyclodecyl-kappa N-3(4),N-7,C-10)(1,4,7-triazacyclononane-kappa N-3(1),N-4,N-7)-cobalt(III) dithionate hydrate

DEFF Research Database (Denmark)

Harris, Pernille; Kofod, P.; Song, Y.S.

2003-01-01

In the title compound, [Co(C6H15N3)(C7H15N2S)]S2O6.H2O, the Co-C bond distance is 1.9930 (13) Angstrom, which is shorter than for related compounds with the linear 1,6-diamino-3-thiahexan-4-ide anion in place of the macrocyclic 1-thia-4,7-diazacyclodecan-8-ide anion. The coordinated carbanion pro...... produces an elongation of 0.102 (7) Angstrom of the Co-N bond to the 1,4,7-triazacyclononane N atom in the trans position. This relatively small trans influence is presumably a result of the triamine ligand forming strong bonds to the Co-III atom....

Mixed adenine/guanine quartets with three trans-a2 Pt(II) (a=NH(3) or MeNH(2)) cross-links: linkage and rotational isomerism, base pairing, and loss of NH(3).

Science.gov (United States)

Albertí, Francisca M; Rodríguez-Santiago, Luis; Sodupe, Mariona; Mirats, Andrea; Kaitsiotou, Helena; Sanz Miguel, Pablo J; Lippert, Bernhard

2014-03-17

Of the numerous ways in which two adenine and two guanines (N9 positions blocked in each) can be cross-linked by three linear metal moieties such as trans-a2 Pt(II) (with a=NH3 or MeNH2 ) to produce open metalated purine quartets with exclusive metal coordination through N1 and N7 sites, one linkage isomer was studied in detail. The isomer trans,trans,trans-[{Pt(NH3 )2 (N7-9-EtA-N1)2 }{Pt(MeNH2 )2 (N7-9-MeGH)}2 ][(ClO4 )6 ]⋅3H2 O (1) (with 9-EtA=9-ethyladenine and 9-MeGH=9-methylguanine) was crystallized from water and found to adopt a flat Z-shape in the solid state as far as the trinuclear cation is concerned. In the presence of excess 9-MeGH, a meander-like construct, trans,trans,trans-[{Pt(NH3 )2 (N7-9-EtA-N1)2 }{Pt(MeNH2 )2 (N7-9-MeGH)2 }][(ClO4 )6 ]⋅[(9-MeGH)2 ]⋅7 H2 O (2) is formed, in which the two extra 9-MeGH nucleobases are hydrogen bonded to the two terminal platinated guanine ligands of 1. Compound 1, and likewise the analogous complex 1 a (with NH3 ligands only), undergo loss of an ammonia ligand and formation of NH4 (+) when dissolved in [D6 ]DMSO. From the analogy between the behavior of 1 and 1 a it is concluded that a NH3 ligand from the central Pt atom is lost. Addition of 1-methylcytosine (1-MeC) to such a DMSO solution reveals coordination of 1-MeC to the central Pt. In an analogous manner, 9-MeGH can coordinate to the central Pt in [D6 ]DMSO. It is proposed that the proton responsible for formation of NH4 (+) is from one of the exocyclic amino groups of the two adenine bases, and furthermore, that this process is accompanied by a conformational change of the cation from Z-form to U-form. DFT calculations confirm the proposed mechanism and shed light on possible pathways of this process. Calculations show that rotational isomerism is not kinetically hindered and that it would preferably occur previous to the displacement of NH3 by DMSO. This displacement is the most energetically costly step, but it is compensated by the proton

Formation of simple nitrogen hydrides NH and NH2 at cryogenic temperatures through N + NH3→ NH + NH2 reaction: dark cloud chemistry of nitrogen.

Science.gov (United States)

Nourry, Sendres; Krim, Lahouari

2016-07-21

Although NH3 molecules interacting with ground state nitrogen atoms N((4)S) seem not to be a very reactive system without providing additional energy to initiate the chemical process, we show through this study that, in the solid phase, at very low temperature, NH3 + N((4)S) reaction leads to the formation of the amidogen radical NH2. Such a dissociation reaction previously thought to occur exclusively through UV photon or energetic particle irradiation is in this work readily occurring just by stimulating the mobility of N((4)S)-atoms in the 3-10 K temperature range in the solid sample. The N((4)S)-N((4)S) recombination may be the source of metastable molecular nitrogen N2(A), a reactive species which might trigger the NH3 dissociation or react with ground state nitrogen atoms N((4)S) to form excited nitrogen atoms N((4)P/(2)D) through energy transfer processes. Based on our obtained results, it is possible to propose reaction pathways to explain the NH2 radical formation which is the first step in the activation of stable species such as NH3, a chemical induction process that, in addition to playing an important role in the origin of molecular complexity in interstellar space, is known to require external energy supplies to occur in the gas phase.

Single crystal structures of the new vanadates CuMgVO{sub 4} and AgMgVO{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Ben Yahia, Hamdi, E-mail: Hyahia@qf.org.qa [Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, PO Box 5825, Doha (Qatar); Shikano, Masahiro, E-mail: shikano.masahiro@aist.go.jp [Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Essehli, Rachid; Belharouak, Ilias [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, PO Box 5825, Doha (Qatar)

2016-08-01

The new compounds CuMgVO{sub 4} and AgMgVO{sub 4} have been synthesized by a solid state reaction route. Their crystal structures were determined from single-crystal X-ray diffraction data. CuMgVO{sub 4} crystallizes with Na{sub 2}CrO{sub 4}-type structure with space group Cmcm, a = 5.6932 (10), b = 8.7055 (15), c = 6.2789 (10) Å, V = 311.20 (9) Å{sup 3}, and Z = 4, whereas AgMgVO{sub 4} crystallizes in the maricite-type structure with space group Pnma, a = 9.4286 (14), b = 6.7465 (10), c = 5.3360 (8) Å, V = 339.42 (9) Å{sup 3}, and Z = 4. Both structures of CuMgVO{sub 4}, and AgMgVO{sub 4} contain MgO{sub 4} chains made up of edge-sharing MgO{sub 6} octahedra. In CuMgVO{sub 4} the MgO{sub 4} chains are interconnected through CuVO{sub 4} double chains made up of VO{sub 4} and CuO{sub 4} tetrahedra sharing corners and edges, however in AgMgVO{sub 4} the chains are interlinked by the VO{sub 4} and AgO{sub 4} tetrahedra sharing only corners. - Highlights: • We have been able to grow CuMgVO{sub 4} and AgMgVO{sub 4} single crystals. • We solved their crystal structures using single crystal data. • We compared the crystal structures of CuMgVO{sub 4} and AgMgVO{sub 4}.

Synthesis of Novel 3H-Quinazolin-4-ones Containing Pyrazolinone, Pyrazole and Pyrimidinone Moieties

Directory of Open Access Journals (Sweden)

Abdel-Basset M. Shokr

2003-04-01

Full Text Available The diazonium salt of 3-(4-aminophenyl-2-methyl-3H-quinazolin-4-one (2a and its 6-bromo derivative 2b reacted with some active methylene compounds, namely ethyl acetoacetate (3, ethyl cyanoacetate (4 and acetylacetone (5, to afford the corresponding hydrazono quinazolinone derivatives 6-8. Treatment of 6a,b with hydrazine hydrate or phenyl hydrazine in refluxing ethanol afforded the corresponding pyrazolin-5-one derivatives of 3H-quinazolin-4-one 9a-d. Cyclization of 7a,b with hydrazine hydrate yielded the corresponding products 10a,b. Reaction of 8a,b with phenyl hydrazine or with urea afforded the corresponding derivatives 11a,b and 12a,b, respectively. Compounds 6-12 were identified by C,H,N analysis, IR, 1H-NMR, 13C-NMR and mass spectroscopy.

Identification and characterization of luekotriene C4 and D4 receptors on a cultured smooth muscle cell line, BC3H-1

International Nuclear Information System (INIS)

Tamura, N.; Agrawal, D.K.; Townley, R.G.

1987-01-01

The authors studied the characteristics of the leukotriene (LT) C 4 and D 4 receptors on a cultured smooth muscle cell line, BC3H-1. Specific [ 3 H]LTC 4 binding to the cell membrane was greater than 80% of total binding and saturable at a density of 3.96 +/- 0.39 pmol/mg protein, with an apparent dissociation constant(Kd) of 14.3 +/- 2.0 nM (n=9). The association and dissociation of [ 3 H]LTC 4 binding were rapid and apparent equilibrium conditions were established within 5 min. Calculated Kd value of [ 3 H]LTC binding from the kinetic analysis was 9.9 nM. From the competition analysis, calculated Ki value of unlabeled LTC 4 to compete for the specific binding of [ 3 H]LTC 4 was 9.2 nM and was in good agreement with the Kd value obtained from the Scatchard plots or kinetic analysis. The maximum number of binding sites (Bmax) of [ 3 H]LTD 4 in the membrane of BC3H-1 cell line was about 11 times lower than that of the [ 3 H]LTC 4 . The calculated values of Kd and Bmax of [ 3 H]LTD 4 binding were 9.3 +/- 0.8 nM and 0.37 +/- 0.04 pmol/mg proteins, respectively (n=3). These findings demonstrate that BC3H-1 cell line possess both LTC 4 and LTD 4 receptors with a predominance of LTC 4 receptors. Thus, BC3H-1 cell line is a good model to study the regulation of LTC 4 and LTD 4 receptors. 34 references, 5 figures, 1 table

4-Fluoro-N-methyl-N-(1,2,3,4-tetra-hydro-carbazol-3-yl)benzene-sulfonamide

DEFF Research Database (Denmark)

Rasmussen, Kaspar Gothardt; Ulven, Trond; Bond, Andrew D

2009-01-01

into layers containing the carbazole units and fluoro-phenyl rings in alternate (200) planes. The carbazole units form centrosymmetric face-to-face inter-actions [inter-planar separation = 4.06 (1) Å] and edge-to-face inter-actions in which the N-H group is directed towards an adjacent carbazole face......, with a shortest H⋯C contact of 2.53 Å. The fluoro-phenyl rings form face-to-face contacts with an approximate inter-planar separation of 3.75 Å and a centroid-centroid distance of 4.73 (1) Å....

[Effects of different NO3--N/NH4+-N ratios on cucumber seedlings growth, nitrogen absorption and metabolism under suboptimal temperature and light intensity].

Science.gov (United States)

Zhang, Xiao Cui; Liu, Yu Mei; Bai, Long Qiang; He, Chao Xing; Yu, Xian Chang; Li, Yan Su

2016-08-01

Cucumber (cv. Zhongnong 26) was used as material, the effects of NO 3 - -N/NH 4 + -N ratios on growth and physiological characteristics of cucumber seedlings under suboptimal temperature and light intensity (18 ℃/10 ℃,180 ± 20 μmol·m -2 ·s -1 ) were studied. Total nitrogen in the nutrient solution was equal and three NO 3 - -N/NH 4 + -N ratios, 26:2, 21:7 and 14:14, were applied as treatments. The results showed that cucumber treated by NO 3 - -N/NH 4 + -N=21:7 had the longest total root length, the biggest root volume and root surface area, and the maximum number of root tips. H + -ATPase activity and relative expression of genes encoding nitrate transporter (NRT) and ammonium transporter (AMT) in cucumber roots were increased significantly by the treatment of NO 3 - -N/NH 4 + -N=21:7. In addition, nitrate reductase (NR), glutamine synthetase (GS) and glutamate synthase (GOGAT) in cucumber leaves under the treatment of NO 3 - -N/NH 4 + -N=21:7 were higher. As a result, the nitrogen content and biomass of cucumber were significantly increased. Compared with the plants under the treatment of NO 3 - -N/NH 4 + -N=26:2 or 14:14, cucumber seedlings under the treatment of NO 3 - -N/NH 4 + -N=21:7 had the highest biomass and total dry mass (DM) which were increased by 14.0% and 19.3% respectively under suboptimal temperature and light intensity. In conclusion, under suboptimal environmental conditions, NO 3 - -N/NH 4 + -N ratio could be adjusted to increase nitrogen absorption and metabolism of cucumber and alleviate the de-trimental effects caused by suboptimal conditions and promoted the cucumber growth.

Thin-Film Transformation of NH4 PbI3 to CH3 NH3 PbI3 Perovskite: A Methylamine-Induced Conversion-Healing Process.

Science.gov (United States)

Zong, Yingxia; Zhou, Yuanyuan; Ju, Minggang; Garces, Hector F; Krause, Amanda R; Ji, Fuxiang; Cui, Guanglei; Zeng, Xiao Cheng; Padture, Nitin P; Pang, Shuping

2016-11-14

Methylamine-induced thin-film transformation at room-temperature is discovered, where a porous, rough, polycrystalline NH 4 PbI 3 non-perovskite thin film converts stepwise into a dense, ultrasmooth, textured CH 3 NH 3 PbI 3 perovskite thin film. Owing to the beneficial phase/structural development of the thin film, its photovoltaic properties undergo dramatic enhancement during this NH 4 PbI 3 -to-CH 3 NH 3 PbI 3 transformation process. The chemical origins of this transformation are studied at various length scales. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Aluminum (III) and gallium (III) complexes with methyliminodiacetic acid: Crystal structures of Cat[M(Mida)2] (Cat+=Na, K, NH4; M3+=Al, Ga) and Me4N[Ga(Mida)2]·H2O

International Nuclear Information System (INIS)

Ilyukhin, A.B.; Petrosyants, S.P.; Milovanov, S.V.; Malyarik, M.A.

1997-01-01

The bis chelate complexes Cat[M(Mida) 2 ] and Me 4 N[Ga(Mida) 2 ]·H 2 O are synthesized from aqueous solutions M(NO 3 ) 3 -2H 2 Mida-CatOH (M 3+ =Al, Ga; Cat + =Na, K, NH 4 ) and Ga(OH) 3 -2H 2 Mida-Me 4 NOH. The crystal structures of the isostructural compounds Cat[M(Mida) 2 ] (Cat=Na, M=Al; Cat=K, M=Al; Cat=Na, M=Ga) and Me 4 N[Ga(Mida) 2 ]·H 2 O are determined by X-ray structure analysis. According to the X-ray powder diffraction analysis, all the six compounds Cat[M(Mida) 2 ] (Cat=Na, K, NH 4 ; M=Al, Ga) are isostructural. The octahedral anion in Cat[M(Mida) 2 ] and Me 4 N[Ga(Mida) 2 ]·H 2 O exhibits a trans(N)- fac configuration

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

Structural determinants of NH3 and NH4+ transport by mouse Rhbg, a renal Rh glycoprotein.

Science.gov (United States)

Abdulnour-Nakhoul, Solange; Le, Trang; Rabon, Edd; Hamm, L Lee; Nakhoul, Nazih L

2016-12-01

Renal Rhbg is localized to the basolateral membrane of intercalated cells and is involved in NH 3 /NH 4 + transport. The structure of Rhbg is not yet resolved; however, a high-resolution crystal structure of AmtB, a bacterial homolog of Rh, has been determined. We aligned the sequence of Rhbg to that of AmtB and identified important sites of Rhbg that may affect transport. Our analysis positioned three conserved amino acids, histidine 183 (H183), histidine 342 (H342), and tryptophan 230 (W230), within the hydrophobic pore where they presumably serve to control NH 3 transport. A fourth residue, phenylalanine 128 (F128) was positioned at the upper vestibule, presumably contributing to recruitment of NH 4 + We generated three mutations each of H183, H342, W230, and F128 and expressed them in frog oocytes. Immunolabeling showed that W230 and F128 mutants were localized to the cell membrane, whereas H183 and H342 staining was diffuse and mostly intracellular. To determine function, we compared measurements of NH 3 /NH 4 + and methyl amine (MA)/methyl ammonium (MA + )-induced currents, intracellular pH, and surface pH (pHs) among oocytes expressing the mutants, Rhbg, or injected with H 2 O. In H183 and W230 mutants, NH 4 + -induced current and intracellular acidification were inhibited compared with that of Rhbg, and MA-induced intracellular alkalinization was completely absent. Expression of H183A or W230A mutants inhibited NH 3 /NH 4 + - and MA/MA + -induced decrease in pHs to the level observed in H 2 O-injected oocytes. Mutations of F128 did not significantly affect transport of NH 3 or NH 4 + These data demonstrated that mutating H183 or W230 caused loss of function but not F128. H183 and H342 may affect membrane expression of the transporter.

Analysis of (NH4)2SO4/(NH4)H2PO4 mixtures by thermogravimetry and X-ray diffraction

International Nuclear Information System (INIS)

Perez, Jose; Perez, Eduardo; Vas, Beatriz del; Garcia, Luis; Serrano, Jose Luis

2006-01-01

(NH 4 ) 2 SO 4 and (NH 4 )H 2 PO 4 are the principal components in the powder material used in fire extinguishers. In this paper the mutual influence in their thermal decomposition is investigated by thermogravimetry. Two methods for the quantification of both salts in mixtures (NH 4 ) 2 SO 4 /(NH 4 )H 2 PO 4 are proposed. The first employs thermogravimetry and is based on the measurement of the mass fraction in the 500-550 deg. C interval, once (NH 4 ) 2 SO 4 has totally decomposed to yield gaseous products. The second uses some selected peaks in the X-ray diffractogram

Synthesis, characterisation and study of thermal, electrical and photocatalytic activity of nanocomposite of PANI with [Co(NH{sub 3}){sub 4} (C{sub 12}H{sub 8}N{sub 2})] Cl{sub 3}·5H{sub 2}O photoadduct

Energy Technology Data Exchange (ETDEWEB)

Naqash, Waseem; Majid, Kowsar, E-mail: Kowsarmajid@rediffmail.com

2016-10-20

Highlights: • Synthesis of new polyaniline nanocomposite with [Co(NH{sub 3}){sub 4} (C{sub 12}H{sub 8}N{sub 2})] Cl{sub 3}·5H{sub 2}O photoadduct. • Characterisation of the photoadduct and nanocomposite by FTIR, XRD and UV–Vis analysis. • Thermal study shows improved thermal stability of PANI nanocomposite over PANI. • Electrical study reveals modified non-linear I–V characteristic of nanocomposite. • The nanocomposite possesses photocatalytic activity. - Abstract: A new polyaniline (PANI) nanocomposite with [Co(NH{sub 3}){sub 4} (C{sub 12}H{sub 8}N{sub 2})] Cl{sub 3}·5H{sub 2}O photoadduct as filler was synthesised via in-situ oxidative polymerisation by ammonium persulphate in non-aqueous DMSO medium. The photoadduct has been synthesised through photo substitution by 1,10-phenenthroline (phen) ligand on irradiation. The as synthesised photoadduct was reduced in size prior to its incorporation in the PANI matrix. The synthesised photoadduct and PANI nanocomposite were characterised by FTIR, XRD, UV–Vis, SEM and elemental analysis. The results showed successful synthesis of photoadduct and PANI nanocomposite. The thermal and electrical measurement of PANI nanocomposite was carried out by thermal gravimetric technique (TGA) and four probe conductivity metre respectively. The results showed improvement in the thermal stability and conductance of nanocomposite over PANI. Besides, the nanocomposite was investigated for photocatalytic activity in the photochemical degradation of methyl orange (MO) dye.

Comparative optical study of thulium-doped YVO4 , GdVO4 , and LuVO4 single crystals

Science.gov (United States)

Lisiecki, R.; Solarz, P.; Dominiak-Dzik, G.; Ryba-Romanowski, W.; Sobczyk, M.; Černý, Pavel; Šulc, Jan; Jelínková, Helena; Urata, Yoshiharu; Higuchi, Mikio

2006-07-01

YVO4:Tm3+ crystals grown by the Czochralski technique and GdVO4:Tm3+ and LuVO4:Tm3+ crystals grown by the floating-zone technique were investigated using methods of optical spectroscopy. Polarized absorption and emission spectra were recorded at room temperature and at 6K . The crystal-field analysis was performed assuming the D2d site symmetry for Tm3+ ions. In this way the missing crystal-field components of the H63 ground multiplet were located. Room temperature absorption spectra were analyzed in the framework of the Judd-Ofelt theory. Evaluated radiative lifetimes of luminescent levels of Tm3+ follow a general trend diminishing in agreement with the sequence: YVO4:Tm3+→GdVO4:Tm3+→LuVO4:Tm3+ . Luminescence lifetimes measured for the systems under study are similar except for the F43 lifetime, which appears to be surprisingly short for LuVO4:Tm3+ . Anisotropy of optical spectra is particularly pronounced in LuVO4:Tm3+ . Peak absorption cross section for the band relevant for optical pumping at about 805nm is roughly three times higher for π polarization. Stimulated emission cross sections for the F43-H63 transition near 1800nm were evaluated using the reciprocity method. The diode-pumped continuous wave laser operation in GdVO4:Tm3+ with a slope efficiency of up to 40% is demonstrated. In LuVO4:Tm3+ the diode-pumped laser oscillation in a pulsed mode was observed.

Insight to the Thermal Decomposition and Hydrogen Desorption Behaviors of NaNH2-NaBH4 Hydrogen Storage Composite.

Science.gov (United States)

Pei, Ziwei; Bai, Ying; Wang, Yue; Wu, Feng; Wu, Chuan

2017-09-20

The lightweight compound material NaNH 2 -NaBH 4 is regarded as a promising hydrogen storage composite due to the high hydrogen density. Mechanical ball milling was employed to synthesize the composite NaNH 2 -NaBH 4 (2/1 molar ratio), and the samples were investigated utilizing thermogravimetric-differential thermal analysis-mass spectroscopy (TG-DTA-MS), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR) analyses. The full-spectrum test (range of the ratio of mass to charge: 0-200) shows that the released gaseous species contain H 2 , NH 3 , B 2 H 6 , and N 2 in the heating process from room temperature to 400 °C, and possibly the impurity gas B 6 H 12 also exists. The TG/DTA analyses show that the composite NaNH 2 -NaBH 4 (2/1 molar ratio) is conductive to generate hydrogen so that the dehydrogenation process can be finished before 400 °C. Moreover, the thermal decomposition process from 200 to 400 °C involves two-step dehydrogenation reactions: (1) Na 3 (NH 2 ) 2 BH 4 hydride decomposes into Na 3 BN 2 and H 2 (200-350 °C); (2) remaining Na 3 (NH 2 ) 2 BH 4 reacts with NaBH 4 and Na 3 BN 2 , generating Na, BN, NH 3 , N 2 , and H 2 (350-400 °C). The better mechanism understanding of the thermal decomposition pathway lays a foundation for tailoring the hydrogen storage performance of the composite complex hydrides system.

Preparation of WO3/g-C3N4 composites and their application in oxidative desulfurization

Science.gov (United States)

Zhao, Rongxiang; Li, Xiuping; Su, Jianxun; Gao, Xiaohan

2017-01-01

WO3/graphitic carbon nitride (g-C3N4) composites were successfully synthesized through direct calcining of a mixture of WO3 and g-C3N4 at 400 °C for 2 h. The WO3 was prepared by calcination of phosphotungstic acid at 550 °C for 4 h, and the g-C3N4 was obtained by calcination of melamine at 520 °C for 4 h. The WO3/g-C3N4 composites were characterized by X-ray diffraction (XRD), Scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), and Brunner-Emmett-Teller analysis (BET). The WO3/g-C3N4 composites exhibited stronger XRD peaks of WO3 and g-C3N4 than the WO3 and pure g-C3N4. In addition, two WO3 peaks at 25.7° and 26.6° emerged for the 36% -WO3/g-C3N4 composite. This finding indicated that WO3 was highly dispersed on the surface of the g-C3N4 nanosheets and interacted with the nanosheets, which resulted in the appearance of (012) and (022) planes of WO3. The WO3/g-C3N4 composite also exhibited a larger specific surface area and higher degree of crystallization than WO3 or pure g-C3N4, which resulted in high catalytic activity of the catalyst. Desulfurization experiments demonstrated that the desulfurization rate of dibenzothiophene (DBT) in model oil reached 91.2% under optimal conditions. Moreover, the activity of the catalyst was not significantly decreased after five recycles.

Formation of nitrogen complexes when [Ru(NH3)5H2O]2+ ion reaction with diazo-acetic ester and aromatic salts of diazonium

International Nuclear Information System (INIS)

Shur, V.B.; Tikhonova, I.A.; Vol'pin, M.E.

1978-01-01

A possibility of formation of nitrogen complexes during transition metal compound interaction with aliphatic and aromatic diazo compounds is studied. It is shown that at the interaction of [Ru(NH 3 ) 5 H 2 O] 2+ with diazo-acetic ester in water (pH7) at 20 deg, quick splitting of the CN-bond in the ester molecule takes place with the formation of [Ru(NH 3 ) 5 N 2 ] 2+ and [(NH 3 ) 5 RuN 2 Ru(NH 3 ) 5 ] 4+ (NRRN) nitrogen complexes. The sum yield of complexes comprises 86% taking into acount diazo-acetic ester. Aromatic salts of diazonium, n-O 3 SC 6 H 4 N 2 and p-quinone diazide react with the [Ru(NH 3 ) 5 H 2 O] 2+ excess forming NRRN (the yield equals 40-53%). The reaction mechanism is discussed

Enhanced visible light photocatalytic H{sub 2} evolution of metal-free g-C{sub 3}N{sub 4}/SiC heterostructured photocatalysts

Energy Technology Data Exchange (ETDEWEB)

Wang, Biao, E-mail: wangbiao@fjirsm.ac.cn [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Zhang, Jingtao, E-mail: zhangjtao@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-sen University, Guangzhou 510006 (China); Huang, Feng, E-mail: huangfeng@mail.sysu.edu.cn [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-sen University, Guangzhou 510006 (China)

2017-01-01

Highlights: • Novel g-C{sub 3}N{sub 4}/SiC composite was prepared by synthesizing g-C{sub 3}N{sub 4} on the surface of SiC. • g-C{sub 3}N{sub 4}/SiC composites exhibit much higher H{sub 2} production activity than pure g-C{sub 3}N{sub 4}. • The g-C{sub 3}N{sub 4}/SiC heterojunction mainly accounts for improved photocatalytic activity. - Abstract: g-C{sub 3}N{sub 4} has been attracting much attention for application in visible light photocatalytic water splitting due to its suitable band structure, and high thermal and chemical stability. However, the rapid recombination of photogenerated carriers has inhibited its wide use. For this reason, novel g-C{sub 3}N{sub 4}/SiC composites were prepared via in situ synthesis of g-C{sub 3}N{sub 4} on the surface of SiC, with which g-C{sub 3}N{sub 4} shows tight interaction (chemical bonding). The g-C{sub 3}N{sub 4}/SiC composites exhibit high stability in H{sub 2} production under irradiation with visible light (λ ≥ 420 nm), demonstrating a maximum of 182 μmol g{sup −1} h{sup −1}, being 3.4 times higher than that of pure g-C{sub 3}N{sub 4}. The enhanced photocatalytic H{sub 2} production ability for g-C{sub 3}N{sub 4}/SiC photocatalysts is primarily ascribed to the combined effects of enhanced separation of photogenerated carriers through efficient migration of electron and enlarged surface areas, in addition to the possible contributions of increased hydrophilicity of SiC and polymerization degree of g-C{sub 3}N{sub 4}. This study may provide new insights into the development of g-C{sub 3}N{sub 4}-based composites as stable and efficient photocatalysts for H{sub 2} production from water splitting.

Synthesis and structure determination of new open-framework chromium carboxylate MIL-105 or CrIII(OH).{O2C-C6(CH3)4-CO2}.nH2O

International Nuclear Information System (INIS)

Serre, Christian; Millange, Franck; Devic, Thomas; Audebrand, Nathalie; Van Beek, Wouter

2006-01-01

Two new three-dimensional chromium(III) dicarboxylate, MIL-105 or Cr III (OH).{O 2 C-C 6 (CH 3 ) 4 -CO 2 }.nH 2 O, have been obtained under hydrothermal conditions, and their structures solved using X-ray powder diffraction data. Both solids are structural analogs of the known Cr benzenedicarboxylate compound (MIL-53). Both contain trans corner-sharing CrO 4 (OH) 2 octahedral chains connected by tetramethylterephthalate di-anions. Each chain is linked by the ligands to four other chains to form a three-dimensional framework with an array of 1D pores channels. The pores of the high temperature form of the solid, MIL-105ht, are empty. However, MIL-105ht re-hydrates at room temperature to finally give MIL-105lt with pores channels filled with free water molecules (lt: low temperature form; ht: high temperature form). The thermal behaviour of the two solids has been investigated using TGA. Crystal data for MIL-105ht: monoclinic space group C2/c with a = 19.653(1) A, b = 9.984(1) A, c = 6.970(1) A, β = 110.67(1) o and Z = 4. Crystal data for MIL-105lt: orthorhombic space group Pnam with a = 17.892(1) A, b = 11.165(1) A, c = 6.916(1) A and Z = 4

FTIR spectra of the solid solutions (Na0.88K0.12)VO3, (Na0.5K0.5)VO3, and Na(V0.66P0.34)O3

Science.gov (United States)

de Waal, D.; Heyns, A. M.

1992-03-01

It is known that three different solid solutions, (Na0.88K0.12)VO3, (Na0.5K0.5)VO3 and Na(V0.66P0.34)O3, form in the (Na,K)(V,P)O3 system. These compounds all have monoclinic crystal structures similar to the pure alkali metal metavanadates containing small cations, e.g. Li+ and Na+ (Space group C2/c). Metavanadates with large cations like K+, Rb+, C+s and NH+4 form orthorhombic crystals, space group Pbcm. All those are structurally related to the silicate pyroxenes. Na(V0.66P0.34)O3 and (Na0.88K0.12)VO3 have the same modified diopside structure as (alpha) - NaVO3 while (Na0.5K0.5)VO3 adopts the true diopside structure. The infrared spectra of the three solid solutions are reported here in comparison with those of (alpha) -NaVO3 and KVO3. The results are also correlated with those obtained in two independent high pressure Raman studies of NH4VO3 and RbVO3 as the introduction of a larger cation like K+ should increase the pressure in the structure.

Imaging a multidimensional multichannel potential energy surface: Photodetachment of H{sup −}(NH{sub 3}) and NH{sub 4}{sup −}

Energy Technology Data Exchange (ETDEWEB)

Hu, Qichi; Johnson, Christopher J.; Continetti, Robert E., E-mail: hguo@umn.edu, E-mail: rcontinetti@ucsd.edu [Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0340 (United States); Song, Hongwei; Guo, Hua, E-mail: hguo@umn.edu, E-mail: rcontinetti@ucsd.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Li, Jun [School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China)

2016-06-28

Probes of the Born-Oppenheimer potential energy surfaces governing polyatomic molecules often rely on spectroscopy for the bound regions or collision experiments in the continuum. A combined spectroscopic and half-collision approach to image nuclear dynamics in a multidimensional and multichannel system is reported here. The Rydberg radical NH{sub 4} and the double Rydberg anion NH{sub 4}{sup −} represent a polyatomic system for benchmarking electronic structure and nine-dimensional quantum dynamics calculations. Photodetachment of the H{sup −}(NH{sub 3}) ion-dipole complex and the NH{sub 4}{sup −} DRA probes different regions on the neutral NH{sub 4} PES. Photoelectron energy and angular distributions at photon energies of 1.17, 1.60, and 2.33 eV compare well with quantum dynamics. Photoelectron-photofragment coincidence experiments indicate dissociation of the nascent NH{sub 4} Rydberg radical occurs to H + NH{sub 3} with a peak kinetic energy of 0.13 eV, showing the ground state of NH{sub 4} to be unstable, decaying by tunneling-induced dissociation on a time scale beyond the present scope of multidimensional quantum dynamics.

Investigation into isomolar series of Al(NO/sub 3/)/sub 3/, Na/sub 3/VO/sub 4/ solution mixture and composition of solid phases

Energy Technology Data Exchange (ETDEWEB)

Chernysh, L F; Nakhodnova, A P; Makarova, R A [Donetskij Gosudarstvennyj Univ. (Ukrainian SSR)

1979-11-01

Conducted is investigation of properties of isomolar series of aluminium nitrate and sodium vanadate solutions at pH of the latter 12.5; 10.0; 7.0 and the temperature of 25 deg C using the methods of pH-metry, conductometry, ''seeming'' volume of precipitations, residual concentration of aluminium and vanadium. It is shown, that the composition property diagram of the system investigated does not reflect the true composition of solid-phase products of the reaction, which depends on the component ratio in solution. Bottom phases of isomolar series are mainly heterogeneous. At the excess of sodium vanadate solution and its high pH values conditions for the basic salt formation are created. At pH of the Na/sub 3/VO/sub 4/ solution of 12.5 and 10.0 and Al(NO/sub 3/)/sub 3/: Na/sub 3/VO/sub 4/ ratios 4:6 and 3:7 respectively obtained are the basic aluminium vanadates of the (AlOH)/sub 3/(VO/sub 4/)/sub 2/x 7.5H/sub 2/O and (AlOH)/sub 2/V/sub 2/O/sub 7/x5H/sub 2/O composition, some of their physicochemical properties being investigated.

Study of various NH4+/NO3- mixtures for enhancing growth of potatoes

Science.gov (United States)

Cao, W.; Tibbitts, T. W.

1993-01-01

Two experiments were conducted to determine the effects of various NH4(+)-N/NO3(-)-N percentages on growth and mineral concentrations in potato (Solanum tuberosum L.) plants using a non-recirculating nutrient film system in a controlled environment. The first experiment included six NH4(+)-N/NO3(-)-N percentages at 0/100, 20/80, 40/60, 60/40, 80/20, and 100/0 with the same total N concentration of 4 mM. The second experiment included six NH4(+)-N/NO3(-)-N percentages at 0/100, 4/96, 8/92, 12/88, 16/84, and 20/80 again with the same total N of 4 mM. In each experiment, plants were harvested 35 days after transplanting when tubers had been initiated and started to enlarge. Dry weights of shoots, tubers, and whole plant at the harvest were increased significantly with all mixed nitrogen treatments as compared with single NH4+ or NO3- form. The enhanced growth with mixed nitrogen was greatest at 8% to 20% NH4(+)-N. Also, the concentrations and accumulation of total N in the shoots and roots were greater with mixed nitrogen than with separate NH4+ or NO3- nutrition. With NH4+ present in the solutions, the concentrations of P and Cl in the shoots were increased compared to NO3- alone, whereas the tissue concentrations of Ca and Mg were decreased. It was concluded that nitrogen fertilization provided with combined NH4+ and NO3- forms, even at small proportions of NH4+, can enhance nitrogen uptake and productivity in potato plants.

Preparation of WO3/g-C3N4 composites and their application in oxidative desulfurization

International Nuclear Information System (INIS)

Zhao, Rongxiang; Li, Xiuping; Su, Jianxun; Gao, Xiaohan

2017-01-01

Highlights: • The WO 3 /g-C 3 N 4 was successfully synthesized through simple calcination. • The process is simple and the cost raw materials is cheap. • The WO 3 /g-C 3 N 4 firstly applied to ODS. • The desulpurization rate of WO 3 /g-C 3 N 4 may attach to 91.2%. • Five recycles of WO 3 /g-C 3 N 4 still attach to 89.5% due to heterogeneous catalysis. - Abstract: WO 3 /graphitic carbon nitride (g-C 3 N 4 ) composites were successfully synthesized through direct calcining of a mixture of WO 3 and g-C 3 N 4 at 400 °C for 2 h. The WO 3 was prepared by calcination of phosphotungstic acid at 550 °C for 4 h, and the g-C 3 N 4 was obtained by calcination of melamine at 520 °C for 4 h. The WO 3 /g-C 3 N 4 composites were characterized by X-ray diffraction (XRD), Scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), and Brunner−Emmett−Teller analysis (BET). The WO 3 /g-C 3 N 4 composites exhibited stronger XRD peaks of WO 3 and g-C 3 N 4 than the WO 3 and pure g-C 3 N 4 . In addition, two WO 3 peaks at 25.7° and 26.6° emerged for the 36% −WO 3 /g-C 3 N 4 composite. This finding indicated that WO 3 was highly dispersed on the surface of the g-C 3 N 4 nanosheets and interacted with the nanosheets, which resulted in the appearance of (012) and (022) planes of WO 3 . The WO 3 /g-C 3 N 4 composite also exhibited a larger specific surface area and higher degree of crystallization than WO 3 or pure g-C 3 N 4 , which resulted in high catalytic activity of the catalyst. Desulfurization experiments demonstrated that the desulfurization rate of dibenzothiophene (DBT) in model oil reached 91.2% under optimal conditions. Moreover, the activity of the catalyst was not significantly decreased after five recycles.

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 ...

Treatment for GaSb surfaces using a sulphur blended (NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4} solution

Energy Technology Data Exchange (ETDEWEB)

Murape, D.M., E-mail: Davison.Murape@nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Eassa, N.; Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Betz, R. [Department of Chemistry, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Coetsee, E.; Swart, H.C. [Department of Physics, University of the Free State, PO Box 339, Bloemfontein, 9300 (South Africa); Botha, J.R.; Venter, A. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa)

2012-07-01

A sulphur based chemical, [(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] to which S has been added, not previously reported for the treatment of (1 0 0) n-GaSb surfaces, is introduced and benchmarked against the commonly used passivants Na{sub 2}S{center_dot}9H{sub 2}O and (NH{sub 4}){sub 2}S. The surfaces of the treated material were studied by scanning electron microscopy (SEM), Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). It has been found that the native oxides present on the GaSb surface are more effectively removed when treated with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] + S) than with (NH{sub 4}){sub 2}S or Na{sub 2}S{center_dot}9H{sub 2}O, as evidenced by the ratio of the O{sub 506eV} to Sb{sub 457eV} AES peaks. XPS results reveal that Sb{sub 2}S{sub 3}/Sb{sub 2}S{sub 5} 'replaces' Sb{sub 2}O{sub 3}/Sb{sub 2}O{sub 5}, suggesting that sulphur atoms substitute oxygen atoms in Sb{sub 2}O{sub 3}/Sb{sub 2}O{sub 5} to form Sb-S. It seems sulphurization only partially removes Ga{sub 2}O{sub 3}. Treatment with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] + S) also results in a noteworthy improvement in the current-voltage (I-V) characteristics of Au/n-GaSb Schottky contacts compared to those fabricated on as-received material.

Evidence and detailed study of a second-order phase transition in the (C6H11NH3)2[PbI4] organic-inorganic hybrid material

International Nuclear Information System (INIS)

Yangui, A.; Pillet, S.; Garrot, D.; Boukheddaden, K.; Triki, S.; Abid, Y.

2015-01-01

The thermal properties of the organic-inorganic hybrid material (C 6 H 11 NH 3 ) 2 [PbI 4 ] are investigated using diffuse reflectivity, spectroscopic ellipsometry, differential scanning calorimetry, Raman spectroscopy, and X-ray diffraction. The diffuse reflectivity, performed in heating mode, clearly evidences the presence of a singularity at 336 K. This is confirmed by the temperature dependence of the spectroscopic ellipsometry spectra, which points out a second-order phase transition at 336 K with a critical exponent ∼0.5. Differential scanning calorimetry measurements on a polycrystalline powder of (C 6 H 11 NH 3 ) 2 [PbI 4 ] show a reversible phase transition detected at T C  = 336 K without hysteresis. Raman spectroscopy data suggest that this transition arises from a change in the interactions between inorganic sheets (([PbI 4 ] 2− ) ∞ ) and organic protonated molecules ([C 6 H 11 NH 3 ] + ). The structural analysis from power X-ray diffraction reveals an incomplete order-disorder transition of the cyclohexylammonium cation, causing a subtle contraction of the inter-plane distance. The transition results from repulsive close contacts between the organic molecules in the interlayer spacing

mer-Triammine trifluorido vanadium(III), mer-[VF{sub 3}(NH{sub 3}){sub 3}]. Synthesis and crystal structure

Energy Technology Data Exchange (ETDEWEB)

Woidy, Patrick [Technische Univ. Muenchen, Garching (Germany). Zentrale Technisch-Wissenschaftliche Betriebseinheit Radiochemie Muenchen RCM; Kraus, Florian [Marburg Univ. (Germany). Anorganische und Fluorchemie

2015-07-01

Vanadium trifluoride reacts with dry liquid ammonia under the formation of lilac plate-shaped crystals of mer-triammine trifluorido vanadium(III) (1), mer-[VF{sub 3}(NH{sub 3}){sub 3}]. Single-crystal X-ray analysis was carried out at low temperature to elucidate the structure. The compound crystallizes in the monoclinic space group P2{sup 1}/c with a = 5.7284(4), b = 9.2033(5), c = 10.5271(6) Aa, beta = 91.795(6)°, and V = 554.72(6) Aa{sup 3} at 123 K with Z = 4. The discrete [VF{sub 3}(NH{sub 3}){sub 3}] molecules are interconnected by hydrogen bonds.