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Sample records for alkaline earth lanthanide

  1. Quantum mechanics and molecular dynamics simulations of complexation of alkaline-earth and lanthanide cations by poly-amino-carboxylate ligands

    International Nuclear Information System (INIS)

    Molecular dynamics (MD) simulations on lanthanide(III) and alkaline-earth(II) complexes with poly-amino-carboxylates (ethylene-diamino-tetra-acetate EDTA4-, ethylene-diamino-tri-acetate-acetic acid EDTA(H)3-, tetra-aza-cyclo-dodecane-tetra-acetate DOTA4-, methylene-imidine-acetate MIDA2-) are reported. First, a consistent set of Lennard-Jones parameters for La3+, Eu3+ and Lu3+ cations has been derived from free energy calculations in aqueous solution. Observed differences in hydration free energies, coordination distances and hydration numbers are reproduced. Then, the solution structures of 1:1 complexes of alkaline-earth and/or lanthanide cations with EDTA4-, EDTA(H)3-, DOTA4- and 1:2 complexes of lanthanide cations with MIDA2- were studied by MD in water. In addition, free energy calculations were performed to study, for each ligand, the relative thermodynamic stabilities of complexes with Ca2+ vs Sr2+ and vs Ba2+ on the one hand, and with La3+ vs Eu3+ and vs Lu3+ on the other hand. Model does not take into account explicitly polarization and charge transfer. However, the results qualitatively agree with experimental complexation data (structure and selectivities). (author)

  2. Multi-phase glass-ceramics as a waste form for combined fission products: alkalis, alkaline earths, lanthanides, and transition metals

    International Nuclear Information System (INIS)

    In this study, multi-phase silicate-based glass-ceramics were investigated as an alternate waste form for immobilizing non-fissionable products from used nuclear fuel. Currently, borosilicate glass is the waste form selected for immobilization of this waste stream, however, the low thermal stability and solubility of MoO3 in borosilicate glass translates into a maximum waste loading in the range of 15-20 mass%. Glass-ceramics provide the opportunity to target durable crystalline phases, e.g., powellite, oxyapatite, celsian, and pollucite, that will incorporate MoO3 as well as other waste components such as lanthanides, alkalis, and alkaline earths at levels 2X the solubility limits of a single-phase glass. In addition a glass-ceramic could provide higher thermal stability, depending upon the properties of the crystalline and amorphous phases. Glass-ceramics were successfully synthesized at waste loadings of 42, 45, and 50 mass% with the following glass additives: B2O3, Al2O3, CaO and SiO2 by slow cooling form from a glass melt. Glass-ceramics were characterized in terms of phase assemblage, morphology, and thermal stability. The targeted phases: powellite and oxyapatite were observed in all of the compositions along with a lanthanide borosilicate, and cerianite. Results of this initial investigation of glass-ceramics show promise as a potential waste form to replace single-phase borosilicate glass.

  3. Heterometallic Alkaline Earth-Lanthanide Ba(II)-La(III) Microporous Metal-Organic Framework as Bifunctional Luminescent Probes of Al(3+) and MnO4(.).

    Science.gov (United States)

    Ding, Bin; Liu, Shi Xin; Cheng, Yue; Guo, Chao; Wu, Xiang Xia; Guo, Jian Hua; Liu, Yuan Yuan; Li, Yan

    2016-05-01

    In this work a rigid asymmetrical tricarboxylate ligand p-terphenyl-3,4″,5-tricarboxylic acid (H3L) has been employed, and a unique heterometallic alkaline earth-lanthanide microporous luminescent metal-organic framework (MOF) {[Ba3La0.5(μ3-L)2.5(H2O)3(DMF)]·(3DMF)}n (1·3DMF) (DMF = dimethylformamide) has been isolated under solvothermal conditions. Single-crystal X-ray structural analysis demonstrates that 2D inorganic Ba-O-La connectivity can be observed in 1, which are further bridged via rigid terphenyl backbones of L(3-), forming a unique I(2)O(1)-type microporous luminescent framework. A 1D microporous channel with dimensionality of 9.151(3) Å × 10.098(1) Å can be observed along the crystallographic a axis. PXRD patterns have been investigated indicating pure phases of 1. The luminescence explorations demonstrated that 1 exhibits highly selective and sensitive sensing for Al(3+) over other cations with high quenching efficiency Ksv value of 1.445 × 10(4) L·mol(-1) and low detection limit (1.11 μM (S/N = 3)). Meanwhile 1 also exhibits highly selective and sensitive sensing for MnO4(-) over other anions with quenching efficiency Ksv = 7.73 × 10(3) L·mol(-1) and low detection limit (0.28 μM (S/N = 3)). It is noted that, when different concentrations of MnO4(-) solutions (0.5 to 100 μM) were dropped into the suspension of 1, the bright blue luminescence of the suspension observed under UV light can gradually change into pink color, indicating visually luminescent sensing, which makes the detection process of MnO4(-) more convenient in practical. The result also reveals that 1 represents the first example of bifunctional heterometallic alkaline earth-lanthanide MOF-based luminescent probes for selectively detecting Al(3+) and MnO4(-) in the water solutions. PMID:27088966

  4. Multi-phase glass-ceramics as a waste form for combined fission products: alkalis, alkaline earths, lanthanides, and transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Crum, Jarrod V.; Turo, Laura A.; Riley, Brian J.; Tang, Ming; Kossoy, Anna

    2012-04-01

    In this study, multi-phase silicate-based glass-ceramics were investigated as an alternate waste form for immobilizing non-fissionable products from used nuclear fuel. Currently, borosilicate glass is the waste form selected for immobilization of this waste stream, however, the low thermal stability and solubility of MoO{sub 3} in borosilicate glass translates into a maximum waste loading in the range of 15-20 mass%. Glass-ceramics provide the opportunity to target durable crystalline phases, e.g., powellite, oxyapatite, celsian, and pollucite, that will incorporate MoO{sub 3} as well as other waste components such as lanthanides, alkalis, and alkaline earths at levels 2X the solubility limits of a single-phase glass. In addition a glass-ceramic could provide higher thermal stability, depending upon the properties of the crystalline and amorphous phases. Glass-ceramics were successfully synthesized at waste loadings of 42, 45, and 50 mass% with the following glass additives: B{sub 2}O{sub 3}, Al{sub 2}O{sub 3}, CaO and SiO{sub 2} by slow cooling form from a glass melt. Glass-ceramics were characterized in terms of phase assemblage, morphology, and thermal stability. The targeted phases: powellite and oxyapatite were observed in all of the compositions along with a lanthanide borosilicate, and cerianite. Results of this initial investigation of glass-ceramics show promise as a potential waste form to replace single-phase borosilicate glass.

  5. Quantum mechanics and molecular dynamics simulations of complexation of alkaline-earth and lanthanide cations by poly-amino-carboxylate ligands; Simulations par mecanique quantique et dynamique moleculaire de la complexation de cations alcalino-terreux et lanthanides par des ligands polyaminocarboxylates

    Energy Technology Data Exchange (ETDEWEB)

    Durand, S

    1999-07-01

    Molecular dynamics (MD) simulations on lanthanide(III) and alkaline-earth(II) complexes with poly-amino-carboxylates (ethylene-diamino-tetra-acetate EDTA{sup 4-}, ethylene-diamino-tri-acetate-acetic acid EDTA(H){sup 3-}, tetra-aza-cyclo-dodecane-tetra-acetate DOTA{sup 4-}, methylene-imidine-acetate MIDA{sup 2-}) are reported. First, a consistent set of Lennard-Jones parameters for La{sup 3+}, Eu{sup 3+} and Lu{sup 3+} cations has been derived from free energy calculations in aqueous solution. Observed differences in hydration free energies, coordination distances and hydration numbers are reproduced. Then, the solution structures of 1:1 complexes of alkaline-earth and/or lanthanide cations with EDTA{sup 4-}, EDTA(H){sup 3-}, DOTA{sup 4-} and 1:2 complexes of lanthanide cations with MIDA{sup 2-} were studied by MD in water. In addition, free energy calculations were performed to study, for each ligand, the relative thermodynamic stabilities of complexes with Ca{sup 2+} vs Sr{sup 2+} and vs Ba{sup 2+} on the one hand, and with La{sup 3+} vs Eu{sup 3+} and vs Lu{sup 3+} on the other hand. Model does not take into account explicitly polarization and charge transfer. However, the results qualitatively agree with experimental complexation data (structure and selectivities). (author)

  6. Synthesis, crystal and band structures, and optical properties of a new lanthanide-alkaline earth tellurium(IV) oxide: La2Ba(Te3O8)(TeO3)2

    International Nuclear Information System (INIS)

    A new quaternary lanthanide alkaline-earth tellurium(IV) oxide, La2Ba(Te3O8)(TeO3)2, has been prepared by the solid-state reaction and structurally characterized. The compound crystallizes in monoclinic space group C2/c with a=19.119(3), b=5.9923(5), c=13.2970(19) A, β=107.646(8)o, V=1451.7(3) A3 and Z=4. La2Ba(Te3O8)(TeO3)2 features a 3D network structure in which the cationic [La2Ba(TeO3)2]4+ layers are cross-linked by Te3O84- anions. Both band structure calculation by the DFT method and optical diffuse reflectance spectrum measurements indicate that La2Ba(Te3O8)(TeO3)2 is a wide band-gap semiconductor. - Graphical abstract: A new quaternary lanthanide alkaline-earth tellurium(IV) oxide, La2Ba(Te3O8)(TeO3)2, has been prepared by the solid-state reaction and structurally characterized. The structure of La2Ba(Te3O8)(TeO3)2 is 3D network in which the cationic [La2Ba(TeO3)2]4+ layers are cross-linked by Te3O84- anions. Both band structure calculation by the DFT method and optical diffuse reflectance spectrum measurements indicate that La2Ba(Te3O8)(TeO3)2 is a wide band-gap semiconductor

  7. Diagnostic study about lanthanides (rare earths)

    International Nuclear Information System (INIS)

    The world situation of rare earths (lanthanides) is evaluated, and a comparison of the Brazilian situation in respect to other countries is established, concerning the following aspects: geology of mineral deposits; main sources, uses, reserves and production; their consumption, prices and state-of-art of geological researches and industrial processes for physical and chemical separation / concentration of these elements. (C.L.B.)

  8. Rare earths, the lanthanides, yttrium and scandium

    Science.gov (United States)

    Hedrick, J.B.

    2006-01-01

    In 2005, rare earths were not mined in the United States. The major supplier, Molycorp, continued to maintain a large stockpile of rare-earth concentrates and compounds. Consumption decreased of refined rare-earth products. The United States remained a major importer and exporter of rare earths in 2005. During the same period, yttrium was not mined or refined in the US. Hence, supply of yttrium compounds for refined yttrium products came from China, France and Japan. Scandium was not also mined. World production was primarily in China, Russia and Ukraine. Demand for rare earths in 2006 is expected to be closely tied to economic conditions in the US.

  9. Alkaline earth filled nickel skutterudite antimonide thermoelectrics

    Science.gov (United States)

    Singh, David Joseph

    2013-07-16

    A thermoelectric material including a body centered cubic filled skutterudite having the formula A.sub.xFe.sub.yNi.sub.zSb.sub.12, where A is an alkaline earth element, x is no more than approximately 1.0, and the sum of y and z is approximately equal to 4.0. The alkaline earth element includes guest atoms selected from the group consisting of Be, Mb, Ca, Sr, Ba, Ra and combinations thereof. The filled skutterudite is shown to have properties suitable for a wide variety of thermoelectric applications.

  10. Alkaline and alkaline earth metal phosphate halides and phosphors

    Science.gov (United States)

    Lyons, Robert Joseph; Setlur, Anant Achyut; Cleaver, Robert John

    2012-11-13

    Compounds, phosphor materials and apparatus related to nacaphite family of materials are presented. Potassium and rubidium based nacaphite family compounds and phosphors designed by doping divalent rare earth elements in the sites of alkaline earth metals in the nacaphite material families are descried. An apparatus comprising the phosphors based on the nacaphite family materials are presented herein. The compounds presented is of formula A.sub.2B.sub.1-yR.sub.yPO.sub.4X where the elements A, B, R, X and suffix y are defined such that A is potassium, rubidium, or a combination of potassium and rubidium and B is calcium, strontium, barium, or a combination of any of calcium, strontium and barium. X is fluorine, chlorine, or a combination of fluorine and chlorine, R is europium, samarium, ytterbium, or a combination of any of europium, samarium, and ytterbium, and y ranges from 0 to about 0.1.

  11. Alkaline earth cation extraction from acid solution

    Science.gov (United States)

    Dietz, Mark; Horwitz, E. Philip

    2003-01-01

    An extractant medium for extracting alkaline earth cations from an aqueous acidic sample solution is described as are a method and apparatus for using the same. The separation medium is free of diluent, free-flowing and particulate, and comprises a Crown ether that is a 4,4'(5')[C.sub.4 -C.sub.8 -alkylcyclohexano]18-Crown-6 dispersed on an inert substrate material.

  12. Retention of alkaline earth elements in man

    International Nuclear Information System (INIS)

    The data on human metabolism and long-term retention of alkaline earth elements (133Ba injected into six healthy male volunteers at age 25-81 y and 45Ca and 85Sr received by one healthy male volunteer) are presented. Excreta were collected for 2-3 weeks after injection of the tracer into an antecubital vein. Activity in urine, ashed faeces and early samples of blood plasma was determined by gamma-ray scintillation spectrometry. Whole body retention has been assessed through serial measurements of body radioactivity. The injected 133Ba apparently became mainly skeletal within several days, much earlier than predicted by the ICRP model. The whole-body retention at 32 d ranged from 5 to 14%, the rate of loss correlating with the excretory plasma clearance rate. No age-related trends were identified in the metabolism of Ca and Sr. 2 refs, 2 figs

  13. Magic wavelengths in the alkaline earth ions

    CERN Document Server

    Kaur, Jasmeet; Arora, Bindiya; Sahoo, B K

    2015-01-01

    We present magic wavelengths for the $nS$ - $nP_{1/2,3/2}$ and $nS$ - $mD_{3/2,5/2}$ transitions, with the respective ground and first excited $D$ states principal quantum numbers $n$ and $m$, in the Mg$^+$, Ca$^+$, Sr$^+$ and Ba$^+$ alkaline earth ions for linearly polarized lights by plotting dynamic polarizatbilities of the $nS$, $nP_{1/2,3/2}$ and $mD_{3/2,5/2}$ states of the ions. These dynamic polarizabilities are evaluated by employing a relativistic all-order perturbative method and their accuracies are ratified by comparing their static values with the available high precision experimental or other theoretical results. Moreover, some of the magic wavelengths identified by us in Ca$^+$ concurs with the recent measurements reported in [{\\bf Phys. Rev. Lett. 114, 223001 (2015)}]. Knowledge of these magic wavelengths are propitious to carry out many proposed high precision measurements trapping the above ions in the electric fields with the corresponding frequencies.

  14. Rare earth metals. Lanthanides and third subgroup. A journey through the periodic table

    International Nuclear Information System (INIS)

    Hermann Sicius brings the reader concisely near all the important information about an important class of metallic raw materials. The eighteen metals of the lanthanides (rare earth metals) and the third subgroup are known only to a small part of the public, but of great importance for many future technologies.

  15. Solubility of fluorides of alkaline earth metals and some rare earths in anhydrous trifluoroacetic acid

    International Nuclear Information System (INIS)

    Solubility of fluorides of alkaline earth and some rare earth metals in anhydrous trifluoroacetic acid is studied. For each type of fluoride solubility depends on the ionic radius of the cation. Solubility of fluorides of alkaline earth metals grows from magnesium to barium. All the fluorides in anhydrous trifluoroacetic acid form solvates. Solvates of strontium and scandium fluorides are shown to decompose at 110 and 150 deg C respectively

  16. Surface-treatment of Alkaline Earth Sulfides Based Phosphor

    Institute of Scientific and Technical Information of China (English)

    GUO Chong-feng; CHU Ben-li; XU Jian; SU Qiang

    2004-01-01

    A series of alkaline earth sulfides based phosphors Ca0.8Sr0.2S∶Eu2+, Tm3+ were covered with a layer of protective coating with alkaline earth fluorides by heating the mixture of phosphor and NH4HF2 at elevated temperatures. The coatings were characterized by means of XRD and SEM. The optical properties of the coated phosphors and the influences of the coating on their properties have been discussed extensively. The stabilities of the coated and uncoated phosphors have been compared.

  17. Mixed alkaline earth effect in sodium aluminosilicate glasses

    DEFF Research Database (Denmark)

    Kjeldsen, Jonas; Smedskjær, Morten Mattrup; Mauro, John C.;

    2013-01-01

    While the mixed alkali effect has received significant attention in the glass literature, the mixed alkaline earth effect has not been thoroughly studied. Here, we investigate the latter effect by partial substitution of magnesium for calcium in sodium aluminosilicate glasses. We use Raman and NMR...

  18. Triethanolaminelaurylsulfate as a collector for alkaline earth metal ions

    International Nuclear Information System (INIS)

    Basic features of flotation isolation of magnesium, calcium, strontium and barium ions, collected with the help of triethanolaminelaurylsulphate (TEALS) are described. The efficiency of the process depends on the nature of alkaline earth ions, on their concentration, on pH and temperature

  19. Modelling the crystallisation of alkaline earth boroaluminosilicate glass ceramics

    DEFF Research Database (Denmark)

    Svenson, Mouritz Nolsøe; Agersted, Karsten; Holm, Paul Martin

    2014-01-01

    To investigate the potential use of a thermochemical software package (FactSage 6.2), in the design of alkaline earth boroaluminosilicate glass ceramics, experimental and modelled results on four glass ceramics were compared. Initially large discrepancies were found. These are described and related...

  20. Solvent Extraction of Alkaline Earth Metals with Alkylphosphorus Acids

    Institute of Scientific and Technical Information of China (English)

    XUXin; ZHUTun

    2002-01-01

    Solvent extraction equiliria of four main alkaline earth metals (magnesium, calcium, strontium and barium) with di(2-ethylhexyl) phosphoric acid (DEHPA), 2-ethylhexyl phosphonic acid mono-(2-ethylhexyl) ester, di(2,4,4-tri-methylpentyl) phosphinic acid and IR spectra of the extracts have been studied. The selectivity order is dependent of the e/r value and hydration energy of the metal ions. The minor shift of the P→O in IR absorption of the alkaline earth metal extracts indicates that the interaction between the metal ions and P→O is much weaker for alkaline earth metals than for transitional metals. The distribution of the four alkaline earth elements between aqueous solutions and solutions of DEHPA and neutral organophosphorus compunds, tri-n-butyl phosphate (TBP) or tri-octyl phosphine oxide (TOPO) in kerosene have been determined at varying ratio of TBP or TOPO to DEHPA and the positive synergism is observed. The synergic effects is explained by using IR spectra of the loaded organic phase.

  1. 40 CFR 721.4668 - Hydrated alkaline earth metal salts of metalloid oxyanions.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Hydrated alkaline earth metal salts of... Specific Chemical Substances § 721.4668 Hydrated alkaline earth metal salts of metalloid oxyanions. (a... hydrated alkaline earth metal salts of metalloid oxyanions (PMN P-94-1557) is subject to reporting...

  2. Alkaline-earth metal compounds. Oddities and applications

    International Nuclear Information System (INIS)

    This book contains the following six topics: heavy alkaline-earth metal organometallic and metal organic chemistry: synthetic methods and properties (Ana Torvisco, Karin Ruhlandt-Senge); Heavier group 2 Grignard reagents of the type aryl-ae(l)n-x post-Grignard reagents (Matthias Westerhausen, Jens Langer, Sven Krieck, Reinald Fischer, Helmar Goerls, Mathias Koehler); stable molecular magnesium(I) dimers: A fundamentally appealing yet synthetically versatile compound class (Cameron Jones, Andreas Stasch); Modern developments in magnesium reagent chemistry for synthesis (Robert E. Mulvey, Stuart D. Robertson); Alkaline-earth metal complexes in homogeneous polymerization catalysis (Jean-Francois Carpentier, Yann Sarazin); homogeneous catalysis with organometallic complexes of group 2 (Mark R. Crimmin, Michael S. Hill); Chiral Ca, Sr and Ba-catalyzed asymmetric direct-type aldol, Michael, and Mannich and related reactions (Tetsu Tsubogo, Yasuhiro Yamashita, Shu- Kobayashi).

  3. Bose-Einstein condensation of alkaline earth atoms: ;{40}Ca.

    Science.gov (United States)

    Kraft, Sebastian; Vogt, Felix; Appel, Oliver; Riehle, Fritz; Sterr, Uwe

    2009-09-25

    We have achieved Bose-Einstein condensation of ;{40}Ca, the first for an alkaline earth element. The influence of elastic and inelastic collisions associated with the large ground-state s-wave scattering length of ;{40}Ca was measured. From these findings, an optimized loading and cooling scheme was developed that allowed us to condense about 2 x 10;{4} atoms after laser cooling in a two-stage magneto-optical trap and subsequent forced evaporation in a crossed dipole trap within less than 3 s. The condensation of an alkaline earth element opens novel opportunities for precision measurements on the narrow intercombination lines as well as investigations of molecular states at the ;{1}S-;{3}P asymptotes. PMID:19905493

  4. The lanthanides and actinides

    International Nuclear Information System (INIS)

    This paper relates the chemical properties of the actinides to their position in the Mendeleev periodic system. The changes in the oxidation states of the actinides with increasing atomic number are similar to those of the 3d elements. Monovalent and divalent actinides are very similar to alkaline and alkaline earth elements; in the 3+ and 4+ oxidation states they resemble d elements in the respective oxidation states. However, in their highest oxidation states the actinides display their individual properties with only a slight resemblance to d elements. Finally, there is a profound similarity between the second half of the actinides and the first half of the lanthanides

  5. Radiation damage and photochromism in the alkaline earth fluorides

    International Nuclear Information System (INIS)

    Detailed mechanisms are proposed for the defect reactions occurring in irradiated alkaline earth fluorides. Both pure and doped crystals are considered. For the former, the models rationalise much of the experimental data, particularly the studies of Hayes and Lambourn. The discussion of doped crystals explains the origin of the pronounced effects of trivalent impurities. The mechanism of formation of photochromic centres is discussed and the observed temperature dependence of the stability of these defects is explained successfully. (author)

  6. Long range interactions between alkali and alkaline-earth atoms

    CERN Document Server

    Jiang, Jun; Mitroy, J

    2013-01-01

    Dispersion coefficients between the alkali metal atoms (Li-Rb) and alkaline-earth metal atoms (Be-Sr) are evaluated using matrix elements computed from frozen core configuration interaction calculations. Besides dispersion coefficients with both atoms in their respective ground states, dispersion coefficients are also given for the case where one atom is in its ground state and the other atom is in a low lying excited state.

  7. Co-mineralization of alkaline-earth carbonates and silica

    OpenAIRE

    Kellermeier, Matthias

    2011-01-01

    This thesis is concerned with the manifold interactions that occur when alkaline-earth metal carbonates are crystallized in the presence of dissolved silica as an additive. The described work subdivides into two main lines of research. On the one hand, an understanding of the potential roles of silica during crystallization was sought on a fundamental level. That is, the mineral - in this case calcium carbonate - was directly precipitated from silica-containing solutions and the effect on gro...

  8. Interaction of alkali and alkaline earth ions with Ochratoxin A

    Energy Technology Data Exchange (ETDEWEB)

    Poor, Miklos [Institute of Laboratory Medicine, University of Pecs, Pecs H-7624 (Hungary); Kunsagi-Mate, Sandor; Matisz, Gergely; Li, Yin; Czibulya, Zsuzsanna [Department of General and Physical Chemistry, University of Pecs, Pecs H-7624 (Hungary); Janos Szentagothai Research Center, Pecs H-7624 (Hungary); Peles-Lemli, Beata [Department of General and Physical Chemistry, University of Pecs, Pecs H-7624 (Hungary); Koszegi, Tamas, E-mail: koszegit@freemail.hu [Institute of Laboratory Medicine, University of Pecs, Pecs H-7624 (Hungary)

    2013-03-15

    The effect of alkali and alkaline earth ions on the chemical equilibrium of mono- and dianionic forms of the mycotoxin Ochratoxin A (OTA) and their bonding onto the surface of Bovine Serum Albumin (BSA) have been investigated by fluorescence spectroscopy and fluorescence polarization techniques. Our results show that alkali metal ions shift the chemical equilibrium towards formation of dianionic form of OTA. Furthermore, the alkaline earth ions can compete with BSA for binding to OTA when these ions are present in millimolar concentrations. Our data also highlight the possibility that the 'free' fraction of OTA (not bound onto the surface of albumin) or at least a part of it is present in cation-bound form in body fluids. These observations are supported by stability constants and quantum-chemical calculations. Among the studied alkaline metal ions magnesium showed the highest affinity towards OTA under physiological conditions. Further research is required to analyze the potential significance of Mg{sup 2+}-OTA complex in cellular uptake and/or elimination of the toxin in the human body. - Highlights: Black-Right-Pointing-Pointer Fluorescence spectroscopy reveals cation-Ochratoxin A (OTA) interactions. Black-Right-Pointing-Pointer Alkali ions shift the equilibrium of OTA to formation of a dianionic structure. Black-Right-Pointing-Pointer Alkaline earth ions directly bind to OTA in the order: Mg{sup 2+}, Ca{sup 2+}, Ba{sup 2+}. Black-Right-Pointing-Pointer Quantum chemical calculations and logK values support our experimental data.

  9. Mass spectra of alkaline earth salts with a FAB source. Complexation with crown ethers

    International Nuclear Information System (INIS)

    With a liquid desorption FAB source it is possible to obtain alkaline earth metal ions complexed by a crown ether. Conditions for formation of these complexes ions are examined for selection of the complexing agent in function of cation size. Behaviour of alkaline and alkaline earth compounds are compared allowing the differentiation of ion extraction phenomena by liquid desorption ion source and solvent extraction

  10. Structural variations in layered alkaline earth metal cyclohexyl phosphonates

    Indian Academy of Sciences (India)

    Ramaswamy Murugavel; Nayanmoni Gogoi

    2009-06-01

    Two series of alkaline earth metal cyclohexyl phosphonates, M(C6H11PO3H)2(H2O) (M = Ca, Sr and Ba) (1–3) and M(C6H11PO3)(H2O) (M = Mg, Ca, Sr, and Ba) (4–7) have been synthesized under mild reaction conditions. All new compounds have been characterized using elemental analysis, IR, TGA and powder X-ray diffraction techniques. The molecular structure of compound 2 determined using single crystal X-ray diffraction technique reveals a layered polymeric structure.

  11. Bose-Einstein condensation of alkaline earth atoms: $^{40}${Ca}

    OpenAIRE

    Kraft, Sebastian; Vogt, Felix; Appel, Oliver; Riehle, Fritz; Sterr, Uwe

    2009-01-01

    We have achieved Bose-Einstein condensation of $^{40}$Ca, the first for an alkaline earth element. The influence of elastic and inelastic collisions associated with the large ground state s-wave scattering length of $^{40}$Ca was measured. From these findings, an optimized loading and cooling scheme was developed that allowed us to condense about $2 \\cdot 10^4$ atoms after laser cooling in a two-stage magneto-optical trap and subsequent forced evaporation in a crossed dipole trap within less ...

  12. Study on rare earth/alkaline earth oxide-doped CeO2 solid electrolyte

    Institute of Scientific and Technical Information of China (English)

    YAN Kai; ZHEN Qiang; Song Xiwen

    2007-01-01

    Five types of rare earth/alkaline earth oxide-doped CeO2 superfine-powders were synthesized by a low-temperature combustion technique. The relevant solid electrolyte materials were also sintered by pressureless sintering at different temperatures. The results of X-ray diffraction and transmission electron microscopy showed that the grain size of the powders was approximately 20-30 nm, and rare earth/alkaline earth oxides were completely dissolved into ceria-based solid solution with fluorite structure. The electrical conductivities of the Sm2O3-CeO2 system were measured by the ac impedance technique in air at temperatures ranging from 513-900℃. The results indicated that the ionic conductivities of Sm0.20Ce0.8O1.875 solid electrolyte increase with increasing sintering temperature, and the relationship between the conductivities and measuring temperature obeys the Arrhenius equation. Then the Sm2O3-CeO2 material was further doped with other rare earth/alkaline earth oxide, and the conductivities improve with the effective index.

  13. Distribution of lanthanides in the aquatic environment of a rare earths processing plant

    International Nuclear Information System (INIS)

    During the chemical processing of monazite to separate rare earths from thorium liquid effluents are generated which after treatment are discharged to Periyar river. Distribution of lanthanide elements such as La, Ce, Nd, Pr and Sm have been investigated in Periyar river. The concentrations of these elements in the river at the industrial zone show enhancement by factors ranging from 4 to 8. The concentration factors in the river sediment is of the order of 104. The mass median diameter work out to 10 μm in the sediment at the industrial zone. Water hyacinth concentrates the elements in its roots. 4 refs., 3 tabs., 1 fig

  14. Alkaline earths as main group reagents in molecular catalysis.

    Science.gov (United States)

    Hill, Michael S; Liptrot, David J; Weetman, Catherine

    2016-02-21

    The past decade has witnessed some remarkable advances in our appreciation of the structural and reaction chemistry of the heavier alkaline earth (Ae = Mg, Ca, Sr, Ba) elements. Derived from complexes of these metals in their immutable +2 oxidation state, a broad and widely applicable catalytic chemistry has also emerged, driven by considerations of cost and inherent low toxicity. The considerable adjustments incurred to ionic radius and resultant cation charge density also provide reactivity with significant mechanistic and kinetic variability as group 2 is descended. In an attempt to place these advances in the broader context of contemporary main group element chemistry, this review focusses on the developing state of the art in both multiple bond heterofunctionalisation and cross coupling catalysis. We review specific advances in alkene and alkyne hydroamination and hydrophosphination catalysis and related extensions of this reactivity that allow the synthesis of a wide variety of acyclic and heterocyclic small molecules. The use of heavier alkaline earth hydride derivatives as pre-catalysts and intermediates in multiple bond hydrogenation, hydrosilylation and hydroboration is also described along with the emergence of these and related reagents in a variety of dehydrocoupling processes that allow that facile catalytic construction of Si-C, Si-N and B-N bonds. PMID:26797470

  15. Proposal for Laser Cooling of Alkaline Earth Monoalkoxide Free Radicals

    Science.gov (United States)

    Baum, Louis; Kozyryev, Ivan; Matsuda, Kyle; Doyle, John M.

    2016-05-01

    Cold samples of polyatomic molecules will open new avenues in physics, chemistry, and quantum science. Non-diagonal Franck-Condon factors, technically challenging wavelengths, and the lack of strong electronic transitions inhibit direct laser cooling of nonlinear molecules. We identify a scheme for optical cycling in certain molecules with six or more atoms. Replacing hydrogen in alcohols with an alkaline earth metal (M) leads to alkaline earth monoalkoxide free radicals (MOR), which have favorable properties for laser cooling. M-O bond is very ionic, so the metal orbitals are slightly affected by the nature of R on the ligand. Diagonal Franck-Condon factors, laser accessible transitions, and a small hyperfine structure make MOR molecules suitable for laser cooling. We explore a scheme for optical cycling on the A - X transition of SrOCH3 . Molecules lost to dark vibrational states will be repumped on the B - X transition. Extension to larger species is possible through expansion of the R group since transitions involve the promotion of the metal-centered nonbonding valence electron. We will detail our estimations of the Franck-Condon factors, simulations of the cooling process and describe progress towards the Doppler cooling of MOR polyatomics.

  16. Recent advances in Rydberg physics using alkaline-earth atoms

    Science.gov (United States)

    Dunning, F. B.; Killian, T. C.; Yoshida, S.; Burgdörfer, J.

    2016-06-01

    In this brief review, the opportunities that the alkaline-earth elements offer for studying new aspects of Rydberg physics are discussed. For example, the bosonic alkaline-earth isotopes have zero nuclear spin which eliminates many of the complexities present in alkali Rydberg atoms, permitting simpler and more direct comparison between theory and experiment. The presence of two valence electrons allows the production of singlet and triplet Rydberg states that can exhibit a variety of attractive or repulsive interactions. The availability of weak intercombination lines is advantageous for laser cooling and for applications such as Rydberg dressing. Excitation of one electron to a Rydberg state leaves behind an optically active core ion allowing, for high-L states, the optical imaging of Rydberg atoms and their (spatial) manipulation using light scattering. The second valence electron offers the possibility of engineering long-lived doubly excited states such as planetary atoms. Recent advances in both theory and experiment are highlighted together with a number of possible directions for the future.

  17. Potassium salts of fatty acids as precipitating agents of alkaline earth metal ions

    International Nuclear Information System (INIS)

    Regularities have been studied of precipitation of ions of alkaline-earth elements with caprilate, pelargonate, caprinate, undecanate, laurate, tridecanate, myristate, pentadecanate, palmitate, and stearate of potassium. It has been shown that completeness of precipitation of metal ions is determined by the nature of alkaline-earth metal and potassium salt as well as by pH value and temperature of the solution. The study of temperature dependence of soaps of alkaline-earth metals makes it possible to calculate the heats of dissolution of laurates of alkaline-earth metals, and a change in entropy and free energy

  18. Effect of rare earth oxides on the properties of bio-soluble alkaline earth silicate fibers

    Institute of Scientific and Technical Information of China (English)

    王玺堂; 刘浩; 王周福; 马妍

    2016-01-01

    Using natural mineral wollastonite, talc and quartz sands as raw materials, rare earth oxides (La2O3, Nd2O3 and Y2O3) as additives, the bio-soluble alkaline earth silicate fibers were prepared by melting and blowing process. The viscosity of the molten ma-terials, bio-solubility and crystallization behavior of the fiber were investigated. The results indicated that the fiber drawing tempera-ture range could be broadened since the slope of the temperature-viscosity curve decreased with adding rare earth oxide. The addition of rare earth oxide was beneficial to the increase of crystallization temperature by strengthening the network structure of the fiber. The existence of rare earth oxide in the fibers would reduce the solubility of the fibers, which still belonged to bio-soluble fibers.

  19. Phisicochemistry of alkaline-earth metals oxides surface

    Science.gov (United States)

    Ekimova, Irina; Minakova, Tamara; Ogneva, Tatyana

    2016-01-01

    The surface state of alkaline-earth metals and magnesium oxides obtained by means of commercial and laboratory ways has been studied in this paper. A complex of methods has been used for identification, determination of a phase composition and morphology of the samples. The high basic character of surface centres has been shown with the help of pH-metry and adsorption of indicators methods. Acid-basic parameters (pHt, pHiis, etc.) can be used for the estimation of a general acid-basic state of metal oxides samples surface and for the supposition about different nature and strength of acid-basic centres as well as for the initial control in the process of acid basic properties of solid oxides surface properties evaluation.

  20. Tune-out wavelengths for the alkaline earth atoms

    CERN Document Server

    Cheng, Yongjun; Mitroy, Jim

    2013-01-01

    The lowest 3 tune-out wavelengths of the four alkaline-earth atoms, Be, Mg, Ca and Sr are determined from tabulations of matrix elements produced from large first principles calculations. The tune-out wavelengths are located near the wavelengths for $^3P^o_1$ and $^1P^o_1$ excitations. The measurement of the tune-out wavelengths could be used to establish a quantitative relationship between the oscillator strength of the transition leading to existence of the tune-out wavelength and the dynamic polarizability of the atom at the tune-out frequency. The longest tune-out wavelengths for Be, Mg, Ca, Sr, Ba and Yb are 454.9813 nm, 457.2372 nm, 657.446 nm, 689.200 nm, 788.875 nm and 553.00 nm respectively.

  1. Deep optical trap for cold alkaline-Earth atoms.

    Science.gov (United States)

    Cruz, Luciano S; Sereno, Milena; Cruz, Flavio C

    2008-03-01

    We describe a setup for a deep optical dipole trap or lattice designed for holding atoms at temperatures of a few mK, such as alkaline-Earth atoms which have undergone only regular Doppler cooling. We use an external optical cavity to amplify 3.2 W from a commercial single-frequency laser at 532 nm to 523 W. Powers of a few kW, attainable with low-loss optics or higher input powers, allow larger trap volumes for improved atom transfer from magneto-optical traps. We analyze possibilities for cooling inside the deep trap, the induced Stark shifts for calcium, and a cancellation scheme for the intercombination clock transition using an auxiliary laser. PMID:18542375

  2. Alkaline Earth Core Level Photoemission Spectroscopy of High-Temperature Superconductors

    Science.gov (United States)

    Vasquez, R.

    1993-01-01

    This paper examines photoemission measurements of the alkaline Earth core levels of high-temperature superconductors and related materials, models that seek to explain the large negative shifts observed relative to the corresponding alkaline Earth metals, and the effect of lattice site disorder on the core level spectra and the presence or absence of intrinsic surface peaks.

  3. Conversion of ethanol to propylene over HZSM-5 type zeolites containing alkaline earth metals

    OpenAIRE

    Goto, Daisuke; Harada, Yasumitsu; Furumoto, Yoshiyasu; Takahashi, Atsushi; Fujitani, Tadahiro; Oumi, Yasunori; Sadakane, Masahiro; Sano, Tsuneji

    2010-01-01

    Protonated ZSM-5 type zeolites containing alkaline earth metals (M-HZSM-5, M: alkaline earth metal) were prepared under various synthesis conditions and their catalytic performance in conversion of ethanol to light olefins was investigated in detail. Among M-HZSM-5, Sr-HZSM-5 exhibited an excellent performance.

  4. Electromigration in molten salts and application to isotopic separation of alkaline and alkaline-earth elements

    International Nuclear Information System (INIS)

    The separation of the isotopes of the alkaline-earth elements has been studied using counter-current electromigration in molten bromides. The conditions under which the cathode operates as a bromine electrode for the highest possible currents have been examined. For the separation of calcium, it has been necessary to use a stable CaBr2 - (CaBr2 + KBr) 'chain'. In the case of barium and strontium, it was possible to employ the pure bromides. Enrichment factors of the order of 10 for 48Ca and of the order of 1.5 for the rare isotopes of barium and strontium have been obtained. In the case of magnesium the method is slightly more difficult to apply because of material loss due to the relatively high vapour pressure of the salt requiring the use of electrolyte chains, MgBr2 - CeBr3. A study has been made that has led to a larger-scale application of the method. These are essentially the inhibition of reversible operation of the cathode by traces of water, limiting the intensity which can be tolerated; evacuation of the heat produced by the Joule effect, in the absence of which the separation efficiency is reduced by thermal gradients; corrosion of the materials by molten salts at high temperature. Several cells capable of treating a few kilograms of substance have been put into operation; none of these has lasted long enough to produce a satisfactory enrichment. The method is thus limited actually to yields of the order of a few grams. (author)

  5. THE TRANSFER OF ALKALINE EARTH-METAL ION AT W/NB INTERFACE FACILITATED BY JOSAMYCIN

    Institute of Scientific and Technical Information of China (English)

    范瑞溪; 狄俊伟

    1991-01-01

    This paper describes the invesligation of the transfer behaviour of the alkaline earth-metal cations across the water/nitrobenzene interface facilitated by josamycin in the nitrobenzene phase using semi-differential cyclic voltammetry .The peak height is directly proportional to the concentration of josaycin (nb) and to the potential scan rate.The complexes formed from alkaline earth-metal ions and josamycin at the w/nb interface are ML22+ ion.

  6. SEPARATION OF EUROPIUM FROM OTHER LANTHANIDE RAE EARTHS BY SOLVENT EXTRACTION

    Science.gov (United States)

    Peppard, D.F.; Horwitz, E.P.; Mason, G.W.

    1963-02-12

    This patent deals with a process of separating europium from other lanthanides present in aqueous hydrochloric or sulfuric acid solutions. The europium is selectively reduced to the divalent state with a divalent chromium salt formed in situ from chromium(III) salt plus zinc amalgam. The other trivalent lanthanides are then extracted away from the divalent europium with a nitrogen-flushed phosphoric acid ester or a phosphonic acid ester. (AEC)

  7. Modifying the size and uniformity of upconversion Yb/Er:NaGdF4 nanocrystals through alkaline-earth doping.

    Science.gov (United States)

    Lei, Lei; Chen, Daqin; Huang, Ping; Xu, Ju; Zhang, Rui; Wang, Yuansheng

    2013-11-21

    NaGdF4 is regarded as an ideal upconversion (UC) host material for lanthanide (Ln(3+)) activators because of its unique crystal structure, high Ln(3+) solubility, low phonon energy and high photochemical stability, and Ln(3+)-doped NaGdF4 UC nanocrystals (NCs) have been widely investigated as bio-imaging and magnetic resonance imaging agents recently. To realize their practical applications, controlling the size and uniformity of the monodisperse Ln(3+)-doped NaGdF4 UC NCs is highly desired. Unlike the routine routes by finely adjusting the multiple experimental parameters, herein we provide a facile and straightforward strategy to modify the size and uniformity of NaGdF4 NCs via alkaline-earth doping for the first time. With the increase of alkaline-earth doping content, the size of NaGdF4 NCs increases gradually, while the size-uniformity is still retained. We attribute this "focusing" of size distribution to the diffusion controlled growth of NaGdF4 NCs induced by alkaline-earth doping. Importantly, adopting the Ca(2+)-doped Yb/Er:NaGdF4 NCs as cores, the complete Ca/Yb/Er:NaGdF4@NaYF4 core-shell particles with excellent size-uniformity can be easily achieved. However, when taking the Yb/Er:NaGdF4 NCs without Ca(2+) doping as cores, they could not be perfectly covered by NaYF4 shells, and the obtained products are non-uniform in size. As a result, the UC emission intensity of the complete core-shell NCs increases by about 30 times in comparison with that of the cores, owing to the effective surface passivation of the Ca(2+)-doped cores and therefore protection of Er(3+) in the cores from the non-radiative decay caused by surface defects, whereas the UC intensity of the incomplete core-shell NCs is enhanced by only 3 times. PMID:24096887

  8. Spectroscopic characterization of manganese-doped alkaline earth lead zinc phosphate glasses

    Indian Academy of Sciences (India)

    S Sreehari Sastry; B Rupa Venkateswara Rao

    2015-04-01

    Alkaline earth lead zinc phosphate glasses doped with Mn(II) are characterized by spectroscopic techniques like X-ray diffraction (XRD), UV–visible, differential scanning calorimetry (DSC), electron paramagnetic resonance (EPR), Fourier transform infrared (FTIR) and Raman. Optical absorption spectrum exhibits four bands which are characteristic of Mn(II) in distorted octahedral site symmetry. The crystal field parameter Dq and Racah interelectronic-repulsion parameters and have been evaluated. All investigated samples exhibit EPR signals which are characteristic to the Mn2+ ions. The shapes of spectra are also changed with varying alkaline earth ions content. FTIR spectra show specific vibrations of phosphate units. The characteristic Raman bands of these glasses due to stretching and bending vibrations were identified and analysed by varying alkaline earth content. The intensity and frequency variations for the characteristic phosphate group vibrations have been correlated with the changes of the structural units present in these glasses. Depolymerization of the phosphate chains in all the glasses is observed with replacement of alkaline earth content by spectroscopic studies. This leads to a strong decrease of the average chain length and a small decrease of the average P–O–P bridging angle with replacement of alkaline earth content.

  9. Facilitated transport of alkaline and alkaline earth metals through liquid membranes with acidic extractants

    International Nuclear Information System (INIS)

    The removal of radioactive Cs and Sr from the liquid waste of nuclear plants is an important problem for both the defense arid the energy industries. Experiments with bulk liquid membranes and liquid membranes, immobilized on porous support, demonstrated the applicability of these systems for active transport of alkaline cations and Sr from alkaline to acidic solution against the concentration gradient of the metal. The mechanism of transport facilitated by fatty acids for alkali metals, or by di-2-ethylhexyl phosphoric acid for Sr in the presence of Ca and EDTA, corresponds to the open-quotes big carrouselclose quotes model, according to which the carrier is distributed between the membrane and aqueous solutions, where metal/H+- ion exchange takes place. The rate limiting step is the reextraction of Sr from the membrane into the acceptor (acidic) solution and is determined by the diffusion of the protonated carrier from the stripping acidic solution through the corresponding unstirred layer

  10. Carbon nitride nanotube as a sensor for alkali and alkaline earth cations

    International Nuclear Information System (INIS)

    Highlights: ► Adsorption of alkali and alkaline earth cations on a CN nanotube studied by DFT. ► The alkaline cation adsorption may raise potential barrier of the electron emission. ► The tube may act as a sensor in the presence of alkali and alkaline cations. - Abstract: Adsorption of several alkali (Li+, Na+, and K+) and alkaline earth (Be2+, Mg2+, and Ca2+) cations on the surface of a zigzag (9, 0) carbon nitride nanotube has been investigated using density functional theory. It has been found that almost all of the cations prefer to be strongly chemisorbed at the center of porous site of the tube surface. The adsorption of alkaline cations much more influences the electronic properties of the tube, in comparison with the alkali ones, so that it is transformed from an intrinsic semiconductor with HOMO/LUMO energy gap of 4.02 eV to extrinsic p-type one with the gap of 0.54–1.94 eV. The alkaline cation adsorption may significantly raise potential barrier of the electron emission from the tube surface, hence impeding the field emission. It has been also concluded that the electrical sensitivity of the tube toward the cations may be in the order: Be2+ ≫ Mg2+ ≫ Ca2+ ≫ Li+ ∼ Na+ ∼ K+.

  11. New Alkaline-Earth Polymeric Frameworks as green materials for sorption and heterogeneous catalysis

    OpenAIRE

    Platero Prats, Ana Eva

    2011-01-01

    Metal-Organic Frameworks (or MOFs) are porous organic-inorganic crystalline materials in which the metallic centers are joined through organic ligands via coordination bonds to give frameworks with different dimensionalities. The work presented in this thesis is focused on the obtaining of new MOFs using alkaline-earth elements as metal centers, which could represent a comparatively cheap, nontoxic and green alternative to conventional MOFs based on transition metals or rare-earth elements.Th...

  12. Depolarizing collisions with hydrogen: neutral and singly ionized alkaline earths

    CERN Document Server

    Sainz, Rafael Manso; Sanz-Sanz, Cristina; Aguado, Alfredo; Ramos, Andres Asensio; Bueno, Javier Trujillo

    2014-01-01

    Depolarizing collisions are elastic or quasielastic collisions that equalize the populations and destroy the coherence between the magnetic sublevels of atomic levels. In astrophysical plasmas, the main depolarizing collider is neutral hydrogen. We consider depolarizing rates on the lowest levels of neutral and singly ionized alkaly-earths Mg I, Sr I, Ba I, Mg II, Ca II, and Ba II, due to collisions with H. We compute ab initio potential curves of the atom-H system and solve the quantum mechanical dynamics. From the scattering amplitudes we calculate the depolarizing rates for Maxwellian distributions of colliders at temperatures T <10000 K. A comparative analysis of our results and previous calculations in the literature is done. We discuss the effect of these rates on the formation of scattering polarization patterns of resonant lines of alkali-earths in the solar atmosphere, and their effect on Hanle effect diagnostics of solar magnetic fields.

  13. Non-covalent (iso)guanosine-based ionophores for alkali(ne earth) cations

    NARCIS (Netherlands)

    Leeuwen, van Fijs W.B.; Davis, Jeffery T.; Verboom, Willem; Reinhoudt, David N.

    2006-01-01

    Different (iso)guanosine-based self-assembled ionophores give distinctly different results in extraction experiments with alkali(ne earth) cations. A lipophilic guanosine derivative gives good extraction results for K+, Rb+, Ca2+, Sr2+, and Ba2+ and in competition experiments it clearly favors the d

  14. Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties

    Czech Academy of Sciences Publication Activity Database

    Zima, Vítězslav; Raja, D. S.; Lee, Y. S.; Chang, T. G.; Wu, Ch. Y.; Hu, Ch. Ch.; Lee, K. R.; Lai, J. Y.; Yeh, J. M.; Lin, Ch. H.

    2013-01-01

    Roč. 42, č. 43 (2013), s. 15332-15342. ISSN 1477-9226 Grant ostatní: AV ČR(CZ) M200501202 Institutional support: RVO:61389013 Keywords : coordination polymers * phosphonates * alkaline-earth Subject RIV: CA - Inorganic Chemistry Impact factor: 4.097, year: 2013

  15. Distribution of alkaline earth elements between aqueous solutions and polymer sorbents impregnated by 8-hydroxyquinoline

    International Nuclear Information System (INIS)

    Interphase distribution of alkaline-earth element (AEE) microimpurities between solutions of alkali metal chlorides and macroporous copolymer of styrene with divinylbenzene impregnated by 8-hydroxyquinoline is investigated. The effect of phase composition on AEE and 8-hydroxyquinoline distribution coefficient is considered. Advantages of the mixture sorption with impregnated sorbent as compared with liquid extraction for thorough purification of salt solution are shown

  16. Conformation Switching in Gas-Phase Complexes of Histidine with Alkaline Earth Ions

    NARCIS (Netherlands)

    Dunbar, R. C.; Hopkinson, A. C.; Oomens, J.; Siu, C. K.; Siu, K. W. M.; Steill, J. D.; Verkerk, U. H.; Zhao, J. F.

    2009-01-01

    Infrared multiple photon dissociation spectroscopy of gas-phase doubly charged alkaline earth complexes of histidine reveals a transition from dominance of the zwitterion (salt bridge, SB) conformation with Ba2+ to substantial presence of the canonical (charge-solvated, CS) conformation with Ca2+. T

  17. Vibrational study of isolated 18-crown-6 ether complexes with alkaline-earth metal cations

    NARCIS (Netherlands)

    Gamez, F.; Hurtado, P.; Martinez-Haya, B.; G. Berden,; Oomens, J.

    2011-01-01

    Laser infrared multiple photon dissociation (IRMPD) spectroscopy has been employed to probe the C-O and C-C stretching vibrational modes of 18-crown-6 ether (18c6) complexes with alkaline-earth metals (Mg(2+), Ca(2+). Sr(2+) and Ba(2+)) stored in the cell of a Fourier Transform Ion Cyclotron Resonan

  18. Calculated Structural Phase-Transitions in the Alkaline-Earth Metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    1982-01-01

    The local-density approximation and the linear muffin-tin orbital method have been used within the atomic-sphere approximation to calculate structural energy differences for all the alkaline earth metals at zero temperature. At ordinary pressure the calculations predict the crystal structure...

  19. Vibrational study of isolated 18-crown-6 ether complexes with alkaline-earth metal cations

    NARCIS (Netherlands)

    F. Gámez; P. Hurtado; B. Martínez-Haya; G. Berden; J. Oomens

    2011-01-01

    Laser infrared multiple photon dissociation (IRMPD) spectroscopy has been employed to probe the C-O and C-C stretching vibrational modes of 18-crown-6 ether (18c6) complexes with alkaline-earth metals (Mg2+, Ca2+, Sr2+ and Ba2+) stored in the cell of a Fourier Transform Ion Cyclotron Resonance mass

  20. New MOFs based on taurine-N,N-(bismethylphosphonates) of alkalineearth metals

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jan; Melánová, Klára; Zima, Vítězslav; Beneš, L.; Vlček, Milan; Raja, D. S.; Lin, C. H.

    Strasbourg: University of Strasbourg, Francie, 2015. P63. [ISIC18 International Symposium on Intercalation Compounds. 31.05.2015-04.06.2015, Strasbourg] Grant ostatní: AV ČR(CZ) M200501202 Institutional support: RVO:61389013 Keywords : taurine * single crystal diffraction * alkaline earth metal - organic frameworks Subject RIV: CC - Organic Chemistry

  1. Carbonatite and alkaline intrusion-related rare earth element deposits–A deposit model

    Science.gov (United States)

    Verplanck, Philip L.; Van Gosen, Bradley S.

    2011-01-01

    The rare earth elements are not as rare in nature as their name implies, but economic deposits with these elements are not common and few deposits have been large producers. In the past 25 years, demand for rare earth elements has increased dramatically because of their wide and diverse use in high-technology applications. Yet, presently the global production and supply of rare earth elements come from only a few sources. China produces more than 95 percent of the world's supply of rare earth elements. Because of China's decision to restrict exports of these elements, the price of rare earth elements has increased and industrial countries are concerned about supply shortages. As a result, understanding the distribution and origin of rare earth elements deposits, and identifying and quantifying our nation's rare earth elements resources have become priorities. Carbonatite and alkaline intrusive complexes, as well as their weathering products, are the primary sources of rare earth elements. The general mineral deposit model summarized here is part of an effort by the U.S. Geological Survey's Mineral Resources Program to update existing models and develop new descriptive mineral deposit models to supplement previously published models for use in mineral-resource and mineral-environmental assessments. Carbonatite and alkaline intrusion-related REE deposits are discussed together because of their spatial association, common enrichment in incompatible elements, and similarities in genesis. A wide variety of commodities have been exploited from carbonatites and alkaline igneous rocks, such as rare earth elements, niobium, phosphate, titanium, vermiculite, barite, fluorite, copper, calcite, and zirconium. Other enrichments include manganese, strontium, tantalum, thorium, vanadium, and uranium.

  2. Structural biology of the lanthanides-mining rare earths in the Protein Data Bank.

    Science.gov (United States)

    Djinovic-Carugo, Kristina; Carugo, Oliviero

    2015-02-01

    With its about 100,000 three-dimensional structures, the Protein Data Bank is a copious source of information: it contains also some hundreds of structures of macromolecules complexed with lanthanide cations, which are examined here. These cations, which are found in a wide variety of protein types, were introduced to determine the structures, by exploiting their anomalous dispersion (in crystallographic studies, where they are also used as crystallization additives) or the paramagnetic pseudocontact shifts (in NMR analyses). The coordination numbers in the first coordination sphere are very variable, though they tend to be close to those that are observed in small molecules or in water solution. The coordination polyhedra are also quite variable as it can be expected for large cations. Interestingly, lanthanide cations are frequently observed in packing bridges between symmetry equivalent molecules in crystals, where they tend to form polynuclear complexes, with up to seven cations bridged by water/hydroxide ligands. PMID:25528480

  3. Uptake of alkaline earth metals in Alcyonarian spicules (Octocorallia)

    Science.gov (United States)

    Taubner, I.; Böhm, F.; Eisenhauer, A.; Garbe-Schönberg, D.; Erez, J.

    2012-05-01

    Alcyonarian corals (Octocorallia) living in shallow tropical seas produce spicules of high-Mg calcite with ˜13 mol% MgCO3. We cultured the tropical alcyonarian coral Rhythisma fulvum in experiments varying temperature (19-32 °C) and pH (8.15-8.44). Alkalinity depletion caused by spicule formation systematically varied in the temperature experiments increasing from 19 to 29 °C. Spicules were investigated for their elemental ratios (Mg/Ca, Sr/Ca) using ICP-OES, δ44/40Ca using TIMS, as well as δ18O and δ13C by IRMS. Mg/Ca increased with temperature from 146 to 164 mmol/mol, in good agreement with the range observed for marine inorganic calcite. Mg/Ca increased by 1.0 ± 0.4 mmol/mol/°C, similar to the sensitivity of Miliolid foraminifera. The pH experiments revealed a linear relationship between Mg/Ca and carbonate ion concentration of +0.03 ± 0.02 mmol/mol/μMol. Sr/Ca ranges from 2.5 to 2.9 mmol/mol being in good agreement with other high-Mg calcites. Temperature and pH experiments showed linear dependencies of Sr/Ca matching inorganic calcite trends and pointing to a decoupling of crystal precipitation rate and calcification rate. Ca isotopes range between 0.7‰ and 0.9‰ in good agreement with aragonitic scleractinian corals and calcitic coccoliths. Presumably Ca isotopes are fractionated by a biological mechanism that may be independent of the skeletal mineralogy. We observe no temperature trend, but a significant decrease of δ44/40Ca with increasing pH. This inverse correlation may characterise biologically controlled intracellular calcification. Oxygen isotope ratios are higher than expected for isotopic equilibrium with a temperature sensitivity of -0.15 ± 0.03‰/°C. Carbon isotope ratios are significantly lower than expected for equilibrium and positively correlated with temperature with a slope of 0.20 ± 0.04‰/°C. Many of our observations on trace element incorporation in R. fulvum may be explained by inorganic processes during crystal

  4. Valence determination of rare earth elements in lanthanide silicates by L 3-XANES spectroscopy

    Science.gov (United States)

    Kravtsova, Antonina N.; Guda, Alexander A.; Goettlicher, Joerg; Soldatov, Alexander V.; Taroev, Vladimir K.; Kashaev, Anvar A.; Suvorova, Lyudmila F.; Tauson, Vladimir L.

    2016-05-01

    Lanthanide silicates have been hydrothermally synthesized using Cu and Ni containers. Chemical formulae of the synthesized compounds correspond to K3Eu[Si6O15] 2H2O, HK6Eu[Si10O25], K7Sm3[Si12O32], K2Sm[AlSi4O12] 0.375H2O, K4Yb2[Si8O21], K4Ce2[Al2Si8O24]. The oxidation state of lanthanides (Eu, Ce, Tb, Sm, Yb) in these silicates has been determined using XANES spectroscopy at the Eu, Ce, Tb, Sm, Yb, L 3- edges. The experimental XANES spectra were recorded using the synchrotron radiation source ANKA (Karlsruhe Institute of Technology) and the X-ray laboratory spectrometer Rigaku R- XAS. By comparing the absorption edge energies and white line intensities of the silicates with the ones of reference spectra the oxidation state of lanthanides Eu, Ce, Tb, Sm, Yb has been found to be equal to +3 in all investigated silicates except of the Ce-containing silicate from the run in Cu container where the cerium oxidation state ranges from +3 (Ce in silicate apatite and in a KCe silicate with Si12O32 layers) to +4 (starting CeO2 or oxidized Ce2O3).

  5. Characterization of alkali-metal and alkaline-earth nitrates by vibrational spectroscopy

    OpenAIRE

    Martínez, S.; Acción, F.; Puertas, F.

    1992-01-01

    Infrared spectra of sodium and potassium alkaline-metal nitrates and magnesium and calcium alkali-earth nitrates in solid phase had been recorded in order to assign the fundamental bands. The influence of the dispersal médium (alkaline halide), employed in the solid sample preparation have been discussed. The quantitative measurements of the band in ten sities at 1387 cm-1 (present in the I.R. spectra of the four nitrates in KBr médium) allowed us to determine the Lambe...

  6. Carbon nitride nanotube as a sensor for alkali and alkaline earth cations

    Energy Technology Data Exchange (ETDEWEB)

    Beheshtian, Javad [Department of Chemistry, Shahid Rajaee Teacher Training University, P.O. Box: 16875-163, Tehran (Iran, Islamic Republic of); Baei, Mohammad T. [Department of Chemistry, Azadshahr Branch, Islamic Azad University, Azadshahr, Golestan (Iran, Islamic Republic of); Bagheri, Zargham [Physics Group, Science Department, Islamic Azad University, Islamshahr Branch, P.O. Box: 33135-369, Islamshahr, Tehran (Iran, Islamic Republic of); Peyghan, Ali Ahmadi, E-mail: ahmadi.iau@gmail.com [Young Researchers Club, Islamic Azad University, Islamshahr Branch, Tehran (Iran, Islamic Republic of)

    2013-01-01

    Highlights: Black-Right-Pointing-Pointer Adsorption of alkali and alkaline earth cations on a CN nanotube studied by DFT. Black-Right-Pointing-Pointer The alkaline cation adsorption may raise potential barrier of the electron emission. Black-Right-Pointing-Pointer The tube may act as a sensor in the presence of alkali and alkaline cations. - Abstract: Adsorption of several alkali (Li{sup +}, Na{sup +}, and K{sup +}) and alkaline earth (Be{sup 2+}, Mg{sup 2+}, and Ca{sup 2+}) cations on the surface of a zigzag (9, 0) carbon nitride nanotube has been investigated using density functional theory. It has been found that almost all of the cations prefer to be strongly chemisorbed at the center of porous site of the tube surface. The adsorption of alkaline cations much more influences the electronic properties of the tube, in comparison with the alkali ones, so that it is transformed from an intrinsic semiconductor with HOMO/LUMO energy gap of 4.02 eV to extrinsic p-type one with the gap of 0.54-1.94 eV. The alkaline cation adsorption may significantly raise potential barrier of the electron emission from the tube surface, hence impeding the field emission. It has been also concluded that the electrical sensitivity of the tube toward the cations may be in the order: Be{sup 2+} Much-Greater-Than Mg{sup 2+} Much-Greater-Than Ca{sup 2+} Much-Greater-Than Li{sup +} {approx} Na{sup +} {approx} K{sup +}.

  7. Molecular dynamics of liquid alkaline-earth metals near the melting point

    Indian Academy of Sciences (India)

    J K Baria; A R Jani

    2010-10-01

    Results of the studies of the properties like binding energy, the pair distribution function (), the structure factor (), specific heat at constant volume, velocity autocorrelation function (VACF), radial distribution function, self-diffusion coefficient and coordination number of alkaline-earth metals (Be, Mg, Ca, Sr and Ba) near melting point using molecular dynamics (MD) simulation technique using a pseudopotential proposed by us are presented in this article. Good agreement with the experiment is achieved for the binding energy, pair distribution function and structure factor, and these results compare favourably with the results obtained by other such calculations, showing the transferability of the pseudopotential used from solid to liquid environment in the case of alkaline-earth metals.

  8. Helical ternary complexes of alkaline earth picrates with open-chain crown ether

    Institute of Scientific and Technical Information of China (English)

    刘伟生; 温永红; 刘雪原; 谭民裕

    2003-01-01

    Four solid complexes of alkaline earth picrates with N,N,N′,N′-tetraphenyl-3,6,9-tri- oxaundecanediamide (TTD), M (Pic)2TTD (1, M = Mg; 2, M = Ca; 3, M = Sr; 4, M = Ba), have been prepared and characterized by elemental analysis, conductivity measurement, IR spectra, 1H NMR spectra and TG-DTA techniques. Crystal structure of complex 3 shows that the Sr(Ⅱ) ion is 9-coordinated by five oxygen atoms from TTD and four oxygen atoms from two bidentate picrates, and the coordination polyhedron is distorted tricapped trigonal prism. TTD as a pentadentate ligand forms a right-handed helical coordination structure. The chelating helical chain has a relative fixed radius and then shows a high coordination selectivity to metal ion. The high selectivity of TTD to alkaline earth ions is explained elementarily from the special coordination structures.

  9. Long-range interactions between the alkali-metal atoms and alkaline earth ions

    CERN Document Server

    Kaur, Jasmeet; Arora, Bindiya; Sahoo, B K

    2014-01-01

    Accurate knowledge of interaction potentials among the alkali atoms and alkaline earth ions is very useful in the studies of cold atom physics. Here we carry out theoretical studies of the long-range interactions among the Li, Na, K, and Rb alkali atoms with the Ca$^+$, Ba$^+$, Sr$^+$, and Ra$^+$ alkaline earth ions systematically which are largely motivated by their importance in a number of applications. These interactions are expressed as a power series in the inverse of the internuclear separation $R$. Both the dispersion and induction components of these interactions are determined accurately from the algebraic coefficients corresponding to each power combination in the series. Ultimately, these coefficients are expressed in terms of the electric multipole polarizabilities of the above mentioned systems which are calculated using the matrix elements obtained from a relativistic coupled-cluster method and core contributions to these quantities from the random phase approximation. We also compare our estim...

  10. Calculated Structural Phase-Transitions in the Alkaline-Earth Metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    1982-01-01

    The local-density approximation and the linear muffin-tin orbital method have been used within the atomic-sphere approximation to calculate structural energy differences for all the alkaline earth metals at zero temperature. At ordinary pressure the calculations predict the crystal structure sequ...... sequence hcp→fcc→bcc as a function of atomic number. As a function of pressure they predict the structure sequence fcc→bcc→hcp. The structural transitions and the onset of superconductivity under pressure are correlated with the d occupation number.......The local-density approximation and the linear muffin-tin orbital method have been used within the atomic-sphere approximation to calculate structural energy differences for all the alkaline earth metals at zero temperature. At ordinary pressure the calculations predict the crystal structure...

  11. Long-range interactions between alkali and alkaline-earth atoms

    International Nuclear Information System (INIS)

    Dispersion coefficients between the alkali metal atoms (Li–Rb) and alkaline-earth metal atoms (Be–Sr) are evaluated using matrix elements computed from frozen core configuration interaction calculations. Besides dispersion coefficients with both atoms in their respective ground states, dispersion coefficients are also given for the case where one atom is in its ground state and the other atom is in a low-lying excited state. (paper)

  12. Properties of the triplet metastable states of the alkaline-earth atoms

    CERN Document Server

    Mitroy, J

    2004-01-01

    The static and dynamic properties of the alkaline-earth atoms in their metastable state are computed in a configuration interaction approach with a semi-empirical model potential for the core. Among the properties determined are the scalar and tensor polarizabilities, the quadrupole moment, some of the oscillator strengths and the dispersion coefficients of the van der Waals interaction. A simple method for including the effect of the core on the dispersion parameters is described.

  13. Properties of the triplet metastable states of the alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    The static and dynamic properties of the alkaline-earth-metal atoms in their metastable state are computed in a configuration interaction approach with a semiempirical model potential for the core. Among the properties determined are the scalar and tensor polarizabilities, the quadrupole moment, some of the oscillator strengths, and the dispersion coefficients of the van der Waals interaction. A simple method for including the effect of the core on the dispersion parameters is described

  14. Adsorption of Alkali, Alkaline Earth and Transition Metal Atoms on Silicene

    OpenAIRE

    Sahin, Hasan; Peeters, Francois M.

    2013-01-01

    The adsorption characteristics of alkali, alkaline earth and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon, are analyzed by means of first-principles calculations. In contrast to graphene, interaction between the metal atoms and the silicene surface is quite strong due to its highly reactive buckled hexagonal structure. In addition to structural properties, we also calculate the electronic band dispersion, net magnetic moment, charge transfer, workfuncti...

  15. Tryptophan fluorescence quenching by alkaline earth metal cations in deionized bacteriorhodopsin.

    Science.gov (United States)

    Wang, G; Wang, A J; Hu, K S

    2000-12-01

    Tryptophan quenching by the addition of alkaline earth metal cations to deionized bacteriorhodopsin suspensions was determined. The results show that the addition of cation primarily quenches fluorescence from surface tryptophan residues. The quenched intensity exhibits a 1/R dependence, where R is the ionic radius of the corresponding metal ion. This observation results from a stronger energy transfer coupling between the tryptophan and the retinal. The membrane curvature may be involved as a result of cations motion and correlated conformational changes. PMID:11332888

  16. Thermochemical study of gaseous oxy salts. Communication 7. Alkaline earth metal niobates

    International Nuclear Information System (INIS)

    Existence of gaseous niobates of alkaline-earth metals was ascertained by the method of high-temperature mass-spectrometry. Equilibrium constants involving the molecules and the relevant oxides were calculated, the standard enthalpies of formation and atomization for gaseous BeNbO3, CaNbO3, SrNbO3, BaNbO2, BaNbO3 and BaNb2O6 were determined

  17. Distribution of alkaline earth elements between aqueous solutions and polymeric sorbent impregnated with 8-hydroxyquinoline

    International Nuclear Information System (INIS)

    The interphase distribution of microimpurities of alkaline earth elements (AEE) between solutions of alkali metal chlorides and a macroporous styrene-divinyl-benzene copolymer impregnated with 8-hydroxyquinoline was studied. The influence of the phase composition on the distribution coefficients of AEE and 8-hydroxyquinoline was examined. The advantages of sorption of the impurities by an impregnated sorbent over liquid extraction for thorough purification of salt solutions were shown

  18. Removal of phosphorous through roasting of oolitic iron ore with alkaline earth additives

    OpenAIRE

    Ionkov, Krassimir; GAYDARDZHIEV, Stoyan; Bastin, David; de Araujo, Armando Correa; Lacoste, Marine

    2012-01-01

    The present study is devoted to improvement of the leaching efficiency during phosphorous removal from high phosphorous gravity-magnetic concentrate. Before leaching the concentrate has been subjected to roasting with the addition of either Ca(OH)2 or CaO. The oolitic iron ore is roasted at 900°C for one hour. This reflects in reaction between alkaline earth additive and quartz, aluminosilicates, phosphorus, and some other minor components of the gangue minerals. The application of leaching, ...

  19. TL and XRD correlation studies of RE3+ doped alkaline earth sulphate phosphors

    International Nuclear Information System (INIS)

    Alkaline earth sulphate phosphors activated with ambient weight percentage composition of rare earth (RE) ions were prepared from Indian mineral gypsum and from synthesized sulphate compounds. The results of TL studies have been interpreted in terms of defect levels and the results of X-ray diffraction (XRD) studies are considered in terms of possible sites and population of activator ions in the host lattice. The correlation studies reveal some interesting results and they lead to suggest some suitable model. (author). 5 refs., 3 figs

  20. Alkaline earth metal doped tin oxide as a novel oxygen storage material

    International Nuclear Information System (INIS)

    Alkaline earth metal doped tin oxide (SnO2) hollow nanospheres with a diameter of 50 nm have been synthesized successfully via a facial solvothermal route in a very simple system composed of only ethanol, acetic acid, SnCl4·5H2O and A(NO3)2·xH2O (A = Mg, Ca, Sr, Ba). The synthesized undoped SnO2 and A-doped SnO2 hollow nanospheres were characterized by the oxygen storage capacity (OSC), X-ray diffraction, transmission electron microscopy and the Brunauer–Emmet–Teller (BET) technique. The OSC values of all samples were measured using thermogravimetric-differential thermal analysis. The incorporation of alkaline earth metal ion into tin oxide greatly enhanced the thermal stability and OSC. Especially, Ba-doped SnO2 hollow nanospheres calcined at 1000 °C for 20 h with a BET surface area of 61 m2 g−1 exhibited the considerably high OSC of 457 μmol-O g−1 and good thermal stability. Alkaline earth metal doped tin oxide has the potential to be a novel oxygen storage material

  1. Alkaline earth metal doped tin oxide as a novel oxygen storage material

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Qiang, E-mail: dong@tagen.tohoku.ac.jp [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan); Yin, Shu; Yoshida, Mizuki; Wu, Xiaoyong; Liu, Bin [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan); Miura, Akira; Takei, Takahiro; Kumada, Nobuhiro [Department of Research Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, Miyamae cho-7, Kofu 400-8511 (Japan); Sato, Tsugio [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan)

    2015-09-15

    Alkaline earth metal doped tin oxide (SnO{sub 2}) hollow nanospheres with a diameter of 50 nm have been synthesized successfully via a facial solvothermal route in a very simple system composed of only ethanol, acetic acid, SnCl{sub 4}·5H{sub 2}O and A(NO{sub 3}){sub 2}·xH{sub 2}O (A = Mg, Ca, Sr, Ba). The synthesized undoped SnO{sub 2} and A-doped SnO{sub 2} hollow nanospheres were characterized by the oxygen storage capacity (OSC), X-ray diffraction, transmission electron microscopy and the Brunauer–Emmet–Teller (BET) technique. The OSC values of all samples were measured using thermogravimetric-differential thermal analysis. The incorporation of alkaline earth metal ion into tin oxide greatly enhanced the thermal stability and OSC. Especially, Ba-doped SnO{sub 2} hollow nanospheres calcined at 1000 °C for 20 h with a BET surface area of 61 m{sup 2} g{sup −1} exhibited the considerably high OSC of 457 μmol-O g{sup −1} and good thermal stability. Alkaline earth metal doped tin oxide has the potential to be a novel oxygen storage material.

  2. Spectroscopic studies of copper doped alkaline earth lead zinc phosphate glasses

    International Nuclear Information System (INIS)

    In this paper spectroscopic investigation of Cu2+ doped alkaline earth lead zinc phosphate glasses was done through the spectroscopic techniques like X-ray diffraction, Ultra Violet (UV) absorption Spectroscopy, Electron Paramagnetic Resonance (EPR – X band), Fourier Transform Infra Red (FTIR) and Raman Spectroscopy. Alkaline earth lead zinc phosphate glasses containing 0.1% copper oxide (CuO) were prepared by the melt quenching technique. Spectroscopic studies indicated that there is a greater possibility for the copper ions to exist in Cu2+ state in these glasses. The optical absorption spectra indicated that the absorption peak of Cu2+ is a function of composition. The maxima absorption peak was reported at 862 nm for strontium lead zinc phosphate glass. Bonding parameters were calculated for the optical and EPR data. All these spectral results indicated clearly that there are certain structural changes in the present glass system with different alkaline earth contents. The IR and Raman spectra noticed the breaking of the P–O–P bonds and creating more number of new P–O–Cu bonds

  3. Density functional study on the ferromagnetism of alkaline earth doped InN

    International Nuclear Information System (INIS)

    Highlights: • The magnetic properties of alkaline earth doped InN were systematically investigated. • The doped system transits from nonmagnetic state to half-metallic state. • Strong ferromagnetism can be expected in Sr- or Ba-doped InN. • Under nitrogen-rich condition, the defect is more stable. - Abstract: Recently, p-type conduction of InN doped by alkaline earth was reported in experiments. However, the magnetic property of the doped systems has not been studied. We systematically investigate the magnetic property of alkaline-earth doped InN by density-functional theory. Our results reveal that the ground state of the doped system transits from nonmagnetic state to spin-polarized state, and the holes introduced into the valence band become more localized as the defect ranges from Be to Ba. As a result, strong half-metallic ferromagnetism emerges for Sr- or Ba-doped InN. Our calculations reveal that the formation energy of defect is much lower for nitrogen-rich condition, under which the doped system can be favorably synthesized

  4. Density functional study on the ferromagnetism of alkaline earth doped InN

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kai-Cheng, E-mail: kczhang@yeah.net [College of Mathematics and Physics, Bohai University, Jinzhou 121013 (China); Li, Yong-Feng [Key laboratory of Integrated Exploitation of Bayan Obo Multi-Metal Resources, Inner Mongolia University of Science and Technology, Baotou 014010 (China); School of Mathematics, Physics and Biological Engineering, Inner Mongolia University of Science and Technology, Baotou 014010 (China); Liu, Yong [State Key Laboratory of Metastable Materials Science and Technology and College of Science, Yanshan University, Qinhuangdao, Hebei 066004 (China); Zhu, Yan [Department of Physics, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2015-03-15

    Highlights: • The magnetic properties of alkaline earth doped InN were systematically investigated. • The doped system transits from nonmagnetic state to half-metallic state. • Strong ferromagnetism can be expected in Sr- or Ba-doped InN. • Under nitrogen-rich condition, the defect is more stable. - Abstract: Recently, p-type conduction of InN doped by alkaline earth was reported in experiments. However, the magnetic property of the doped systems has not been studied. We systematically investigate the magnetic property of alkaline-earth doped InN by density-functional theory. Our results reveal that the ground state of the doped system transits from nonmagnetic state to spin-polarized state, and the holes introduced into the valence band become more localized as the defect ranges from Be to Ba. As a result, strong half-metallic ferromagnetism emerges for Sr- or Ba-doped InN. Our calculations reveal that the formation energy of defect is much lower for nitrogen-rich condition, under which the doped system can be favorably synthesized.

  5. Effects of alkaline earth metal ion complexation on amino acid zwitterion stability: Results from infrared action spectroscopy

    NARCIS (Netherlands)

    Bush, M. F.; Oomens, J.; Saykally, R. J.; Williams, E. R.

    2008-01-01

    The structures of isolated alkaline earth metal cationized amino acids are investigated using infrared multiple photon dissociation (IRMPD) spectroscopy and theory. These results indicate that arginine, glutamine, proline, serine, and valine all adopt zwitterionic structures when complexed with diva

  6. Creation of trapped electrons and holes in alkaline-earth fluoride crystals doped by rare-earth ions

    International Nuclear Information System (INIS)

    Defects in Ce3+- and Eu2+-doped alkaline-earth fluorides, created by vacuum ultraviolet (VUV) photons with energy lower than that of the band gap, were investigated by various methods: thermostimulated luminescence, photostimulated luminescence and optical absorption. The CaF2:Eu2+ thermoluminescence curves in the range of 60-330 K due to various types of trapped holes were the same after VUV illumination as after X-ray irradiation. Thermoluminescence curves of Ce3+-doped alkaline-earth fluorides created by VUV illumination or X-ray irradiation were generally similar. However, Vk thermoluminescence peaks were absent in VUV-illuminated CaF2:Ce3+ and SrF2:Ce3+ crystals. Creation of Ce2+ characteristic bands was observed in photostimulated luminescence spectra as well as in optical absorption spectra of vacuum ultraviolet-illuminated or X-ray-irradiated Ce3+-doped crystals. The proposed mechanism of creation of trapped hole and trapped electron defects by vacuum ultraviolet illumination involves charge transfer-type transitions, in which the electron transfers from valence band to an impurity level, lying in the band gap. Comparison of all involved energies of transitions in the crystals investigated shows that the sum of all transition energies is less than that of the band gap by 1-3 eV. This energy difference can be considered as the energy of lattice relaxation around created Ce2+ or Eu+ ions

  7. Electronic structures, mechanical and thermodynamic properties of cubic alkaline-earth hexaborides from first principles calculations

    International Nuclear Information System (INIS)

    Highlights: • The band gaps for CaB6, SrB6 and BaB6 depend sensitively on the values of lattice constant a and positional parameter z. • The order in elastic anisotropy is CaB6 > SrB6 > BaB6. • There are LO/TO splitting lines in the range of 5–10 THz at G point. - Abstract: The electronic structures, mechanical and thermodynamic properties of alkaline-earth hexaborides MB6 (M = Ca, Sr or Ba) are calculated from first principles using density functional theory combined with the quasi-harmonic approximation. These three alkaline-earth hexaborides are semiconductors with a slightly increased trend for their band gaps as M orders from Ca to Ba. Their band gaps depend sensitively on the values of lattice constant a and internal parameter z. The polycrystalline values of the elastic constants and bulk, shear and Young’s moduli are consistent with those determined experimentally. All alkaline-earth hexaborides have strongly anisotropic elastic properties in the order of CaB6 > SrB6 > BaB6. By using the phonon calculations, the thermodynamic properties are investigated. The obtained phonon dispersion relations for CaB6, SrB6, and BaB6 show similar features and there are LO/TO splitting lines in the range of 5–10 THz. Finally, the thermal conductivities of CaB6, SrB6 and BaB6 are evaluated via Clarke’s model and Cahill’s model

  8. Comparison of Ce$^{3+}$ and Pr$^{3+}$ activators in alkaline-earth fluoride crystals

    OpenAIRE

    Radzhabov, E.; Nepomnyaschikh, A.

    2012-01-01

    The emission spectra of Ce$^{3+}$ or Pr$^{3+}$ doped CaF$_2$, SrF$_2$, BaF$_2$ excited by vacuum ultraviolet photons or by x-ray as well as excitation and absorption spectra in vacuum ultraviolet region (6-13 eV) were studied. The transfer of exciton energy is the main channel for Ce$^{3+}$ excitation in alkaline-earth fluorides. Three different stages of energy transfer were observed. Pr$^{3+}$ excited by two processes, slow f-f luminescence excited by excitons, fast d-f luminescence excited...

  9. High-Tc thin films on low microwave loss alkaline-rare-earth-aluminate crystals

    International Nuclear Information System (INIS)

    This paper reports on the alkaline-rare-earth aluminates (K2NiF4-type perovskites) which are an excellent choice as the substrate material for the growth of high-Tc thin films suitable for microwave and far-infrared applications. The CaNdAlO4, and SrLaAlO4 single crystals have been grown by Czochralski pulling and fabricated into the form of (001) oriented wafers. The Y-Ba-Cu-O and Bi-Sr-Ca-Cu-O films deposited on these substrates by a single-target magnetron sputtering exhibited very good superconducting and structural properties

  10. An easy access to nanocrystalline alkaline earth metal fluorides - just by shaking

    Science.gov (United States)

    Dreger, M.; Scholz, G.; Kemnitz, E.

    2012-04-01

    High energy ball milling as fast, direct and solvent free method allows an easy access to nanocrystalline alkaline earth metal fluorides MF2 (M: Mg, Ca, Sr, Ba). Comparable metal sources (acetates, carbonates, hydroxides, alkoxides) were used for the reaction with NH4F as fluorinating agent. Even very simple manual shaking experiments between NH4F and the corresponding hydroxides in the stoichiometric ratio (M:F = 1:2, M: Ca, Sr, Ba) give phase pure fluorides. Moreover, comparable classical thermal reactions in closed crucibles at higher temperatures provide phase pure crystalline fluorides in nearly all cases as well.

  11. STARK STRUCTURE OF THE RYDBERG STATES OF ALKALINE-EARTH ATOMS

    Institute of Scientific and Technical Information of China (English)

    郅妙婵; 戴长建; 李士本

    2001-01-01

    The Stark effects of the Rydberg states in the alkaline-earth atoms are studied theoretically. Using a method similar to the treatment of alkali atoms, the properties of the Stark states of Mg, Ca, Sr and Ba atoms in the regions far away from the perturbers are investigated. The Stark maps for Mg (n=16, M=0), Ca (n=10, M=0), Sr (n=12,M=0) and Ba (n=13, |M|=0,1) are presented. Topics such as the general methods of calculation, the treatment of fine structure, and the structure of level anti-crossings are discussed. The comparison between the theoretical and experimental Stark maps is satisfactory.

  12. Solvent extraction of alkaline earth elements by di-2-ethylhexylphosphoric acid and 8-hydroxyquinoline mixtures

    International Nuclear Information System (INIS)

    Solvent extraction of alkaline earth elements including Sr by mixtures of di-2-ethylhexylphosphoric acid and 8-hydroxyquinoline (8-O) in chloroform is investigated. pH constant value was kept using acetate buffer mixtures; content of the extracted element in the initial solution constituted 1·10-3mol/l. Investigation into dependence of distribution coefficients on (8-O) concentration demonstrated presence of synergism which is explained by formation of mixed complexes in the organic phase. It is shown, that increase of pH value of aqueous solution uncreases extraction of elements by organic phase

  13. Environmental effects on fatigue of alkaline earth aluminosilicate glass with varying fictive temperature

    DEFF Research Database (Denmark)

    Striepe, Simon; Deubener, Joachim; Smedskjær, Morten Mattrup; Potuzak, Marcel

    2013-01-01

    The influence of relative humidity on microhardness, stress intensity, crack resistance, and sub-critical crack growth of an alkaline earth aluminosilicate glass has been studied by Vickers indentation. Quenched and annealed glasses with a wide range of fictive temperatures (ΔTf ≈ 130 K) are....... The glasses with lower fictive temperature exhibit a larger change in the micromechanical properties when comparing wet and dry conditions. Finally, it is found that sub-critical crack growth is larger in the low fictive temperature glasses, indicating a diminished resistance against fatigue and...

  14. Apparent molar volumes and compressibilities of alkaline earth metal ions in methanol and dimethylsulfoxide

    Energy Technology Data Exchange (ETDEWEB)

    Warminska, Dorota, E-mail: dorota@chem.pg.gda.p [Department of Physical Chemistry, Chemical Faculty, Gdansk University of Technology, 80-233 Gdansk (Poland); Wawer, Jaroslaw; Grzybkowski, Waclaw [Department of Physical Chemistry, Chemical Faculty, Gdansk University of Technology, 80-233 Gdansk (Poland)

    2010-09-15

    Temperature dependencies of density of magnesium (II), calcium (II), strontium (II), barium (II) perchlorates as well as beryllium (II), and sodium trifluoromethanesulfonates in methanol and dimethylsulfoxide have been determined over the composition range studied. From density data the apparent molar volumes and partial molar volumes of the salts at infinite dilution as well as the expansibilities have been evaluated. The apparent molar isentropic compressibilities of alkaline earth metal perchlorates and beryllium (II) and sodium triflates in methanol and DMSO have been calculated from sound speed data obtained at T = 298.15 K.

  15. Apparent molar volumes and compressibilities of alkaline earth metal ions in methanol and dimethylsulfoxide

    International Nuclear Information System (INIS)

    Temperature dependencies of density of magnesium (II), calcium (II), strontium (II), barium (II) perchlorates as well as beryllium (II), and sodium trifluoromethanesulfonates in methanol and dimethylsulfoxide have been determined over the composition range studied. From density data the apparent molar volumes and partial molar volumes of the salts at infinite dilution as well as the expansibilities have been evaluated. The apparent molar isentropic compressibilities of alkaline earth metal perchlorates and beryllium (II) and sodium triflates in methanol and DMSO have been calculated from sound speed data obtained at T = 298.15 K.

  16. Optical tuning of the scattering length of cold alkaline earth atoms

    OpenAIRE

    Ciurylo, R.; Tiesinga, E.; P.S. Julienne

    2004-01-01

    It is possible to tune the scattering length for the collision of ultra-cold 1S0 ground state alkaline-earth atoms using an optical Feshbach resonance. This is achieved with a laser far detuned from an excited molecular level near the frequency of the atomic intercombination 1S0--3P1 transition. Simple resonant scattering theory, illustrated by the example of 40Ca, allows an estimate of the magnitude of the effect. Unlike alkali metal species, large changes of the scattering length are possib...

  17. Health Effects of Alkaline Diet and Water, Reduction of Digestive-tract Bacterial Load, and Earthing.

    Science.gov (United States)

    Mousa, Haider Abdul-Lateef

    2016-04-01

    In the article, the author discusses the issue of chronic, low-grade acidosis that is thought to be brought about primarily by 2 factors: (1) advancing age, with a consequent decline in renal function; and (2) diet. An acid-forming diet can induce low-grade metabolic acidosis, which causes very small decreases in blood pH and plasma bicarbonate (HCO3-) that remain within the range considered to be normal. However, if the duration of the acidosis is prolonged or chronically present, even a low degree of acidosis can become significant. This article reviews supporting evidence in the literature that has shown that consumption of abundant alkaline-forming foods can result in improvement in bone mineral density (BMD) and muscle mass, protection from chronic illnesses, reduced tumor-cell invasion and metastasis, and effective excretion of toxins from the body. In addition, a large number of studies showing the benefits of alkaline water (mineral water) have revealed that people consuming water with a high level of total dissolved solids (TDS) (ie, with a high mineral content) have shown a lower incidence of coronary heart disease (CHD), cardiovascular disease (CVD), and cancer and lower total mortality rates. Consumption of alkaline water also may prevent osteoporosis and protect pancreatic beta cells with its antioxidant effects. In addition, this article discusses the literature that shows that reducing digestive-tract bacterial load can play an important role in increasing blood alkalinity toward the normal upper limit. That change occurs through good oral hygiene, flossing of teeth, perfect chewing of food, and bowel evacuation as soon as possible. Finally, the author reviews the literature that shows that earthing (ie, the direct contact of the human body with the earth) can supply a current of plentiful electrons. Earthing has been shown to reduce acute and chronic inflammation, blood glucose in patients with diabetes, red blood cell (RBC) aggregation, and blood

  18. Rare earths'98. The international rare earths conference, including radio lanthanides in nuclear medicine therapy. Programme and abstracts

    International Nuclear Information System (INIS)

    The rare earth elements and compounds have unique spectroscopic, magnetic and chemical properties. These materials not only provide interesting windows into many aspects of science but are being used in an ever increasing number of strategic applications, particularly in the high growth sectors of world economics. The conference covered various aspects of rare earths elemets and compounds, including photophysics, luminescence and spectroscopy, magnetic materials, minerals and materials characterisation, extraction and co-ordination chemistry, electronic and electrical properties as well as their applications in agriculture, nuclear medicine and environmental studies

  19. Modelling three-dimensional-quench cooling for alkaline-earth atoms

    CERN Document Server

    Mehlstaeubler, T E; Douillet, A; Rehbein, N; Rasel, E M; Ertmer, W

    2003-01-01

    Quench cooling is a promising technique to reach ultra-cold temperatures in alkaline-earth atoms by Doppler cooling on ultra-narrow transitions. The principles of quench cooling are derived from an effective two-level system with a linewidth adjustable by the quenching laser. A tunable linewidth reconciles the contradictory requirements of a fast cooling rate and a high velocity selectivity at high and low temperatures, respectively. In this paper, we investigate the efficiency of quench cooling in alkaline-earth systems. We present a one-dimensional analytical description of the quenching process. Cooling and trapping in three dimensions is studied with semi-classical Monte Carlo simulations. Our results for magnesium indicate a loading efficiency of up to 40% of pre-cooled atoms at 2 mK into a QuenchMOT. Final temperatures of 9 mu K and an increase in phase-space density by almost five orders of magnitude are observed in the simulations.

  20. Porphyrin-Alkaline Earth MOFs with the Highest Adsorption Capacity for Methylene Blue.

    Science.gov (United States)

    Hou, Yuxia; Sun, Junshan; Zhang, Daopeng; Qi, Dongdong; Jiang, Jianzhuang

    2016-04-25

    A series of four porphyrin-alkaline earth metal- organic frameworks [Mg(HDCPP)2 (DMF)2 ]n ⋅(H2 O)7 n (1), [Ca(HDCPP)2 (H2 O)2 ]n (DMF)1.5 n (2), [Sr(DCPP)(H2 O)(DMA)]n (3), and [Ba(DCPP)(H2 O)(DMA)]n (4) was isolated for the first time from solvothermal reaction between metal-free 5,15-di(4- carboxyphenyl)porphyrin (H2 DCPP) and alkaline earth ions. Single-crystal X-ray diffraction analysis reveals the 2D and 3D supramolecular network with periodic nanosized porosity for 1/2 and 3/4, respectively. The whole series of MOFs, in particular, compounds 1 and 2 with intrinsic low molecular formula weight, exhibit superior adsorption performance for methylene blue (MB) with excellent capture capacity as represented by the thus far highest adsorption amount of 952 mg g(-1) for 2 and good selectivity, opening a new way for the potential application of the main group metal-based MOFs. PMID:27002679

  1. Long-range interacting many-body systems with alkaline-earth-metal atoms

    CERN Document Server

    Olmos, B; Singh, Y; Schreck, F; Bongs, K; Lesanovsky, I

    2012-01-01

    Alkaline-earth-metal atoms exhibit long-range dipolar interactions, which are generated via the coherent exchange of photons on the 3P_0-3D_1-transition of the triplet manifold. In case of bosonic strontium, which we discuss here, this transition has a wavelength of 2.7 \\mu m and a dipole moment of 2.46 Debye, and there exists a magic wavelength permitting the creation of optical lattices that are identical for the states 3P_0 and 3D_1. This interaction enables the realization and study of mixtures of hard-core lattice bosons featuring long-range hopping, with tuneable disorder and anisotropy. We derive the many-body Master equation, investigate the dynamics of excitation transport and analyze spectroscopic signatures stemming from coherent long-range interactions and collective dissipation. Our results show that lattice gases of alkaline-earth-metal atoms permit the creation of long-lived collective atomic states and constitute a simple and versatile platform for the exploration of many-body systems with lon...

  2. Three-photon process for producing a degenerate gas of metastable alkaline-earth-metal atoms

    Science.gov (United States)

    Barker, D. S.; Pisenti, N. C.; Reschovsky, B. J.; Campbell, G. K.

    2016-05-01

    We present a method for creating a quantum degenerate gas of metastable alkaline-earth-metal atoms. This has yet to be achieved due to inelastic collisions that limit evaporative cooling in the metastable states. Quantum degenerate samples prepared in the 1S0 ground state can be rapidly transferred to either the 3P2 or 3P0 state via a coherent three-photon process. Numerical integration of the density-matrix evolution for the fine structure of bosonic alkaline-earth-metal atoms shows that transfer efficiencies of ≃90 % can be achieved with experimentally feasible laser parameters in both Sr and Yb. Importantly, the three-photon process can be set up such that it imparts no net momentum to the degenerate gas during the excitation, which will allow for studies of metastable samples outside the Lamb-Dicke regime. We discuss several experimental challenges to successfully realizing our scheme, including the minimization of differential ac Stark shifts between the four states connected by the three-photon transition.

  3. A 3-photon process for producing degenerate gases of metastable alkaline-earth atoms

    Science.gov (United States)

    Barker, Daniel S.; Pisenti, Neal C.; Reschovsky, Benjamin J.; Campbell, Gretchen K.

    2016-05-01

    We present a method for creating quantum degenerate gases of metastable alkaline-earth atoms. A degenerate gas in any of the 3 P metastable states has not previously been obtained due to large inelastic collision rates, which are unfavorable for evaporative cooling. Samples prepared in the 1S0 ground state can be rapidly transferred to either the 3P2 or 3P0 state via a coherent 3-photon process. Numerical integration of the density matrix evolution for the fine structure of bosonic alkaline-earth atoms shows that transfer efficiencies of ~= 90 % can be achieved with experimentally feasible laser parameters in both Sr and Yb. Importantly, the 3-photon process does not impart momentum to the degenerate gas during excitation, which allows studies of these metastable samples outside the Lamb-Dicke regime. We discuss several experimental challenges to the successful realization of our scheme, including the minimization of differential AC Stark shifts between the four states connected by the 3-photon transition.

  4. Creation of trapped electrons and holes in alkaline-earth fluoride crystals doped by rare-earth ions

    International Nuclear Information System (INIS)

    Defects in Ce3+- and Eu2+-doped alkaline-earth fluorides, created by vacuum ultraviolet (UV) photons at energies lower than at the bandgap, were investigated by various methods: thermostimulated luminescence, photostimulated luminescence and optical absorption. The CaF2:Eu2+ thermoluminescence curves in the range of 60-330 K due to various types of trapped holes were the same after vacuum UV illumination as after x-irradiation. Thermoluminescence curves of Ce3+-doped alkaline-earth fluorides created by vacuum UV illumination or x-irradiation were generally similar. However, Vk thermoluminescence peaks were absent in vacuum UV illuminated CaF2:Ce3+ and SrF2:Ce3+ crystals. This fact is obviously associated with the presence of charge-compensating fluorine interstitials in Ce3+-doped crystals. The creation of Ce2+ characteristic bands was observed in photostimulated luminescence spectra as well as in optical absorption spectra of vacuum UV illuminated or x-irradiated Ce3+-doped crystals. The suppression of hole thermoluminescence peaks in CaF2:aF2:Eu2+ crystals by blue light is due to the photoionization of Eu+ ions. The proposed mechanism for the creation of trapped hole and trapped-electron defects by vacuum UV illumination involves charge-transfer-type transitions, in which the electron transfers from the valence band to an impurity level lying in the bandgap. Comparison of all energies involved of transitions in the crystals investigated shows that the sum of all the transition energies is less than that of the bandgap by 1.5-3.5 eV. This energy difference can be considered to be the energy of lattice relaxation around the created Ce2+ or Eu+ ions. (author)

  5. Influence of radionuclide residence time in soil and of competing alkaline earth elements on radium uptake by edible plants

    International Nuclear Information System (INIS)

    The uptake of Ra by plants and its dependence on the residence time as well as on the concentration of other alkaline earth elements was studied with soil contaminated several decades ago. Only the use of a well weathered Ra containing soil provides a realistic model for transfer factor determinations since the bioavailability of radium bound to soil particles is lower than in freshly prepared mixtures. The plants investigated are: tomatoes, cress, dandelions, radishes and mangold; they were chosen for their different behaviour towards alkaline earth elements, such as calcium. The contents of some elements taken up by the plants, especially the alkaline earths, were determined in their ashes by atomic absorption spectrometry. (orig./HP)

  6. The Lanthanide Contraction beyond Coordination Chemistry.

    Science.gov (United States)

    Ferru, Geoffroy; Reinhart, Benjamin; Bera, Mrinal K; Olvera de la Cruz, Monica; Qiao, Baofu; Ellis, Ross J

    2016-05-10

    The lanthanide contraction is conceptualized traditionally through coordination chemistry. Here we break this mold in a structural study of lanthanide ions dissolved in an amphiphilic liquid. The lanthanide contraction perturbs the weak interactions between molecular aggregates that drive mesoscale assembly and emergent behavior. The weak interactions correlate with lanthanide ion transport properties, suggesting new strategies for rare-earth separation that exploit forces outside of the coordination sphere. PMID:27060294

  7. Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals.

    Science.gov (United States)

    Gagné, Olivier Charles; Hawthorne, Frank Christopher

    2016-08-01

    Bond-length distributions have been examined for 55 configurations of alkali-metal ions and 29 configurations of alkaline-earth-metal ions bonded to oxygen, for 4859 coordination polyhedra and 38 594 bond distances (alkali metals), and for 3038 coordination polyhedra and 24 487 bond distances (alkaline-earth metals). Bond lengths generally show a positively skewed Gaussian distribution that originates from the variation in Born repulsion and Coulomb attraction as a function of interatomic distance. The skewness and kurtosis of these distributions generally decrease with increasing coordination number of the central cation, a result of decreasing Born repulsion with increasing coordination number. We confirm the following minimum coordination numbers: ([3])Li(+), ([3])Na(+), ([4])K(+), ([4])Rb(+), ([6])Cs(+), ([3])Be(2+), ([4])Mg(2+), ([6])Ca(2+), ([6])Sr(2+) and ([6])Ba(2+), but note that some reported examples are the result of extensive dynamic and/or positional short-range disorder and are not ordered arrangements. Some distributions of bond lengths are distinctly multi-modal. This is commonly due to the occurrence of large numbers of structure refinements of a particular structure type in which a particular cation is always present, leading to an over-representation of a specific range of bond lengths. Outliers in the distributions of mean bond lengths are often associated with anomalous values of atomic displacement of the constituent cations and/or anions. For a sample of ([6])Na(+), the ratio Ueq(Na)/Ueq(bonded anions) is partially correlated with 〈([6])Na(+)-O(2-)〉 (R(2) = 0.57), suggesting that the mean bond length is correlated with vibrational/displacement characteristics of the constituent ions for a fixed coordination number. Mean bond lengths also show a weak correlation with bond-length distortion from the mean value in general, although some coordination numbers show the widest variation in mean bond length for zero distortion, e.g. Li(+) in

  8. Relations between structure and material properties in earth alkaline silicate basing phosphors; Struktureigenschaftsbeziehungen in Erdalkalisilikat basierenden Leuchtstoffen

    Energy Technology Data Exchange (ETDEWEB)

    Hempel, Wolfgang

    2008-03-19

    This work is basing on the relation between structure and luminescence of Eu{sup 2+} doped Earth-Alkaline-Silicates. After an overview of Earth-Alkaline-Silicates silicates with an additional cation (Li{sup +}, Al{sup 3+}) and an additional anion (Cl{sup -}, N{sup 3-}) are examined in chapter 4 and 5. Basing on this data an relation between structural influence - like ion-radii, anion and coordination polyeder - and phosphor luminescence is set up. The ability of using as an industrial phosphor is made in the final chapter. (orig.)

  9. Structure elucidation of alkaline earth impregnated MCM-41 type mesoporous materials obtained by direct synthesis: An experimental and theoretical study

    Science.gov (United States)

    Paz, Gizeuda L.; Silva, Francisco das Chagas M.; Araújo, Maciel M.; Lima, Francisco das Chagas A.; Luz, Geraldo E.

    2014-06-01

    In this work, MCM-41 were synthesized hydrothermally and functionalized with calcium and strontium salts by direct method, using the Si/M = 50 molar ratio, in order to elucidate the way as the alkaline earth is incorporated on MCM-41 molecular sieve. The materials were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, nitrogen adsorption-desorption and theoretical calculations by DFT method. Experimental results and computer simulations showed that the alkaline earths were incorporated on MCM-41 through a complex structure, which negatively influences on basic sites formation.

  10. Prospects for sympathetic cooling of polar molecules: NH with alkali-metal and alkaline-earth atoms - a new hope

    CERN Document Server

    Soldán, Pavel; Hutson, Jeremy M

    2009-01-01

    We explore the potential energy surfaces for NH molecules interacting with alkali-metal and alkaline-earth atoms using highly correlated ab-initio electronic structure calculations. The surfaces for interaction with alkali-metal atoms have deep wells dominated by covalent forces. The resulting strong anisotropies will produce strongly inelastic collisions. The surfaces for interaction with alkaline-earth atoms have shallower wells that are dominated by induction and dispersion forces. For Be and Mg the anisotropy is small compared to the rotational constant of NH, so that collisions will be relatively weakly inelastic. Be and Mg are thus promising coolants for sympathetic cooling of NH to the ultracold regime.

  11. Electric dipole polarizability of alkaline-Earth-metal atoms from perturbed relativistic coupled-cluster theory with triples

    CERN Document Server

    Chattopadhyay, S; Angom, D

    2014-01-01

    The perturbed relativistic coupled-cluster (PRCC) theory is applied to calculate the electric dipole polarizabilities of alkaline Earth metal atoms. The Dirac-Coulomb-Breit atomic Hamiltonian is used and we include the triple excitations in the relativistic coupled-cluster (RCC) theory. The theoretical issues related to the triple excitation cluster operators are described in detail and we also provide details on the computational implementation. The PRCC theory results are in good agreement with the experimental and previous theoretical results. We, then, highlight the importance of considering the Breit interaction for alkaline Earth metal atoms.

  12. Assessing the Effectiveness and Side-Effects of Ocean Alkalinity Enhancement in an Earth System Model

    Science.gov (United States)

    Jones, S. E.; Ridgwell, A. J.

    2013-12-01

    At present, the potential to decrease atmospheric carbon dioxide concentrations by manipulating the carbon cycle (carbon geoengineering) is being considered as a fourth possible option for addressing anthropogenic climate change, alongside emissions reductions, adaptation and solar geoengineering. This study sets out to assess the effectiveness and potential side-effects of ocean alkalinity enhancement, or ';liming the ocean', as a means to slow the current increase in atmospheric CO2. In order to achieve this, an Earth system model (cGENIE) was used to run both individual simulations as well as a number of 934-member ensembles, to assess each surface ocean grid cell individually, for effectiveness and side-effects of ocean alkalinity enhancement. Effectiveness and side-effects were considered both temporally and spatially and under both steady-state scenarios (of 1x, 2x and 4x pre-industrial pCO2), and using RCP scenarios 4.5 and 8.5. Some consideration of the amount of lime potentially required to have a useful impact on atmospheric CO2 concentration and ocean acidification has also been carried out and compared to current mining capabilities, as an initial step towards considering the feasibility of such an intervention. This research aims to inform the emerging debate around geoengineering by providing an initial insight into where, when and how frequently lime could be used to most efficiently contribute to efforts to slow the rate of increasing atmospheric CO2 concentrations, as well as insights into the caveats and side-effects that may accompany ocean alkalinity enhancement interventions.

  13. Impacts of artificial ocean alkalinization on the carbon cycle and climate in Earth system simulations

    Science.gov (United States)

    González, Miriam Ferrer; Ilyina, Tatiana

    2016-06-01

    Using the state-of-the-art emissions-driven Max Planck Institute Earth system model, we explore the impacts of artificial ocean alkalinization (AOA) with a scenario based on the Representative Concentration Pathway (RCP) framework. Addition of 114 Pmol of alkalinity to the surface ocean stabilizes atmospheric CO2 concentration to RCP4.5 levels under RCP8.5 emissions. This scenario removes 940 GtC from the atmosphere and mitigates 1.5 K of global warming within this century. The climate adjusts to the lower CO2 concentration preventing the loss of sea ice and high sea level rise. Seawater pH and the carbonate saturation state (Ω) rise substantially above levels of the current decade. Pronounced differences in regional sensitivities to AOA are projected, with the Arctic Ocean and tropical oceans emerging as hot spots for biogeochemical changes induced by AOA. Thus, the CO2 mitigation potential of AOA comes at a price of an unprecedented ocean biogeochemistry perturbation with unknown ecological consequences.

  14. Theoretical study of the dipole moments of selected alkaline-earth halides

    Science.gov (United States)

    Langhoff, S. R.; Bauschlicher, C. W., Jr.; Partridge, H.; Ahlrichs, R.

    1986-01-01

    Ab initio calculations at the self-consistent-field (SCF), singles-plus-doubles configuration-interaction (SDCI), and coupled-pair functional (CPF) level, are reported for the dipole moments and dipole derivatives of the X2Sigma(+) ground states of BeF, BeCl, MgF, MgCl, CaF, CaCl, and SrF. For comparison, analogous calculations are performed for the X1Sigma(+) state of KCl. The CPF results are found to be in remarkably better agreement with experiment than are the SCF and SDCI results. Apparently higher excitations are required to properly describe the radial extent along the bond axis of the remaining valence electron on the alkaline-earth metal.

  15. High resolution spectroscopy of alkaline earth monohalides: perturbation analysis, hyperfine structure and stark effect

    International Nuclear Information System (INIS)

    This paper applies a number of laser spectroscopic methods, some of which have been newly developed, to the group of alkaline earth monohalide radicals. The effects of weak hyperfine interaction were studied by using laser-mw double resonance techniques and the Stark effect was investigated at high resolution in molecular beam experiments. Doppler-free polarization spectroscopy provided the sensitivity and resolution needed for the analysis of optical spectra. In the particulary congested parts of the spectra mw labeling was helpful for the identification of lines. It is to be expected that these methods will be applied to other groups of free radicals in the near future and help to cast some light on the structure of new interesting molecular species

  16. Parity violating radiative emission of neutrino pair in heavy alkaline earth atoms of even isotopes

    CERN Document Server

    Yoshimura, M; Uetake, S

    2014-01-01

    Metastable excited states ${}^3P_2, {}^3P_0$ of heavy alkaline earth atoms of even isotopes are studied for parity violating (PV) effects in radiative emission of neutrino pair (RENP). PV terms arise from interference between two diagrams containing neutrino pair emission of valence spin current and nuclear electroweak charge density proportional to the number of neutrons in nucleus. This mechanism gives large PV effects, since it does not suffer from the suppression of 1/(electron mass) usually present for non-relativistic atomic electrons. A controllable magnetic field is crucial to identify RENP process by measuring PV observables. Results of PV asymmetries under the magnetic field reversal and the photon circular polarization reversal are presented for an example of Yb atom.

  17. State-dependent lattices for quantum computing with alkaline-earth-metal atoms

    CERN Document Server

    Daley, Andrew J; Zoller, Peter

    2011-01-01

    Recent experimental progress with Alkaline-Earth atoms has opened the door to quantum computing schemes in which qubits are encoded in long-lived nuclear spin states, and the metastable electronic states of these species are used for manipulation and readout of the qubits. Here we discuss a variant of these schemes, in which gate operations are performed in nuclear-spin-dependent optical lattices, formed by near-resonant coupling to the metastable excited state. This provides an alternative to a previous scheme [A. J. Daley, M. M. Boyd, J. Ye, and P. Zoller, Phys. Rev. Lett 101, 170504 (2008)], which involved independent lattices for different electronic states. As in the previous case, we show how existing ideas for quantum computing with Alkali atoms such as entanglement via controlled collisions can be freed from important technical restrictions. We also provide additional details on the use of collisional losses from metastable states to perform gate operations via a lossy blockade mechanism.

  18. Core-Shell Magneto-Optical Trap for Alkaline-Earth-Metal-Like Atoms

    CERN Document Server

    Lee, Jeongwon; Noh, Jiho; Mun, Jongchul

    2014-01-01

    We propose and demonstrate a new magneto-optical trap (MOT) for alkaline-earth-metal-like (AEML) atoms where the narrow $^{1}S_{0}\\rightarrow$$^{3}P_{1}$ transition and the broad $^{1}S_{0}\\rightarrow$$^{1}P_{1}$ transition are spatially arranged into a core-shell configuration. Our scheme resolves the main limitations of previously adopted MOT schemes, leading to a significant increase in both the loading rate and the steady state atom number. We apply this scheme to $^{174}$Yb MOT, where we show about a hundred-fold improvement in the loading rate and ten-fold improvement in the steady state atom number compared to reported cases that we know of to date. This technique could be readily extended to other AEML atoms to increase the statistical sensitivity of many different types of precision experiments.

  19. Optical tuning of the scattering length of cold alkaline earth atoms

    CERN Document Server

    Ciurylo, R; Julienne, P S

    2004-01-01

    It is possible to tune the scattering length for the collision of ultra-cold 1S0 ground state alkaline-earth atoms using an optical Feshbach resonance. This is achieved with a laser far detuned from an excited molecular level near the frequency of the atomic intercombination 1S0--3P1 transition. Simple resonant scattering theory, illustrated by the example of 40Ca, allows an estimate of the magnitude of the effect. Unlike alkali metal species, large changes of the scattering length are possible while atom loss remains small, because of the very narrow line width of the molecular photoassociation transition. This raises prospects for control of atomic interactions for a system without magnetically tunable Feshbach resonance levels.

  20. Calculation of the lowest electronic excitations of the alkaline earth metals using the relativistic polarization propagator

    Science.gov (United States)

    Brandt, Sven; Pernpointner, Markus

    2015-07-01

    In this work we use the recently implemented four-component polarization propagator for accurate single excitation calculations of alkaline earth metals and compare our results to experimental data. Various approximations to the Dirac-Coulomb Hamiltonian are additionally tested. In Ca spin-orbit coupling already leads to noticeable zero field splitting, which gradually increases for the heavier homologs finally invalidating the singlet and triplet state characterizations. For all systems we observe a very good agreement with experimental transition energies in the considered energy range. For Sr, Ba and Ra non-relativistic approaches already exhibit unacceptable deviations in the reproduction of transition energies and spectral structure. The obtained excited final states are analyzed in terms of atomic donor and acceptor orbital contributions. Our results stress the necessity to use relativistic implementations of the polarization propagator for an accurate description of both electron correlation and relativistic effects contributing to excitation spectra of heavy systems.

  1. Role of elastic deformation in determining the mixed alkaline earth effect of hardness in silicate glasses

    DEFF Research Database (Denmark)

    Kjeldsen, Jonas; Smedskjær, Morten Mattrup; Potuzak, M.;

    2015-01-01

    show that the mixed alkaline earth effect manifests itself as deviations from linearity in shear modulus, Poisson’s ratio, glass transition temperature, liquid fragility index, hardness, volume of densification, and volume of plastic flow. We find no correlation between the elastic part of the......Glasses deform permanently as a result of indentation and the total resistance to deformation consists of three individual resistances, i.e., those to elastic deformation, densification, and plastic flow. The link between Vickers hardness and the resistances to densification and plastic flow has...... been investigated previously, but the link between the resistance to elastic deformation and hardness has not yet been studied. In this work, we investigate the link between elastic deformation during indentation and Vickers hardness in a series of mixed magnesium-barium boroaluminosilicate glasses. We...

  2. Permanent electric dipole moments of alkaline-earth-metal monofluorides: Interplay of relativistic and correlation effects

    Science.gov (United States)

    Prasannaa, V. S.; Sreerekha, S.; Abe, M.; Bannur, V. M.; Das, B. P.

    2016-04-01

    The interplay of the relativistic and correlation effects in the permanent electric dipole moments of the X 2Σ+ electronic ground states of the alkaline-earth-metal monofluorides (BeF, MgF, CaF, SrF, and BaF) has been studied using a relativistic coupled cluster method. The calculations were carried out using double, triple, and quadruple zeta basis sets, and with no core orbitals frozen. The results are compared with those of other calculations available in the literature and with experiments. The correlation trends in the permanent electric dipole moments of these molecules are discussed in detail. This information will be useful in throwing light on the interplay between relativistic and correlation effects of other properties that are relevant to fundamental physics.

  3. Effect of Composition and Impurities on the Phosphorescence of Green-Emitting Alkaline Earth Aluminate Phosphor.

    Science.gov (United States)

    Kim, Doory; Kim, Han-Eol; Kim, Chang-Hong

    2016-01-01

    Recent improvements to SrAl2O4:Eu2+, Dy3+ phosphors have enabled the use of luminescent hosts with a stable crystal structure and high physical and chemical stability, thus overcoming the bottleneck in the applicability of ZnS:Cu phosphors. However, enhancement of afterglow lifetime and brightness in SrAl2O4:Eu2+, Dy3+ phosphors remains a challenging task. Here, we have improved the afterglow characteristics in terms of persistence time and brightness by a systematic investigation of the composition of Eu-doped alkaline earth aluminate SrAl2O4:Eu2+, Dy3+ crystals. We found that a Dy3+/Eu2+ ratio of ~2.4 and ~0.935 mol Eu2+ (per mol of SrAl2O4) gave the brightest and longest emissions (11% and 9% increase for each). Doping with Si4+ also resulted in a slight increase in brightness up to ~15%. Doping with alkali metal or alkaline earth metal significantly enhanced the phosphorescence intensity. In particular, doping with 0.005 mol Li+ (per mol of SrAl2O4) alone boosted the phosphorescence intensity to 239% of the initial value, as compared to that observed for the non-doped crystal, while doping with 0.01 mol Mg2+ and 0.005 mol Li+ (per 1 mol SrAl2O4) boosted the phosphorescence intensity up to 313% of the initial value. The results of this investigation are expected to act as a guideline for the synthesis of bright and long persistent phosphors, and facilitate the development of persistent phosphors with afterglow characteristics superior to those of conventional phosphors. PMID:26731086

  4. Raman and Rietveld structural characterization of sintered alkaline earth doped ceria

    Energy Technology Data Exchange (ETDEWEB)

    Siqueira Junior, Jose Marcio; Brum Malta, Luiz Fernando; Garrido, Francisco M.S. [Departamento de Quimica Inorganica, Instituto de Quimica, Universidade Federal do Rio de Janeiro, Av. Athos da Silveira Ramos, 149, Centro de Tecnologia, Bloco A, room 632, CEP 68563, 21941-909 Rio de Janeiro, RJ (Brazil); Ogasawara, Tsuneharu [Programa de Engenharia Metalurgica e de Materiais, Coordenacao dos Programas de Pos - Graduacao de Engenharia, Centro de Tecnologia, Universidade Federal do Rio de Janeiro, Ilha do Fundao, CEP 68505, 21941-972 Rio de Janeiro, RJ (Brazil); Medeiros, Marta Eloisa, E-mail: chico@iq.ufrj.br [Departamento de Quimica Inorganica, Instituto de Quimica, Universidade Federal do Rio de Janeiro, Av. Athos da Silveira Ramos, 149, Centro de Tecnologia, Bloco A, room 632, CEP 68563, 21941-909 Rio de Janeiro, RJ (Brazil)

    2012-08-15

    Nanocrystalline calcium and strontium singly doped ceria and co-doped ceria materials for solid electrolytes were prepared via a hydrothermal route. The effect of the hydrothermal treatment time on the solid solution composition was evaluated. Sr doped ceria was the most difficult to form, due to the Sr{sup 2+} large ionic radius. The small crystal size (12-16 nm) of powders allowed sintering into dense ceramic pellets at 1350 Degree-Sign C for 5 h. Raman spectroscopy evidenced a great lattice distortion for Sr doped and co-doped ceria materials, explaining the deterioration of the electrical properties for these ceramics. Besides that, a second phase was detected for Sr doped ceria pellet by using X-ray powder diffraction and Rietveld refinement of XRD data. Impedance measurements showed that Ca-doped ceria behaves as the best ionic conductor ({sigma}{sub g} 390 Degree-Sign C = 1.0 Multiplication-Sign 10{sup -3} S cm{sup -1}) since the nominal composition was achieved; on the other hand, Sr doped ceria performed as resistive materials since Sr incorporation into ceria lattice was critical. These results enhance the close interlace between electrical performance and chemical composition of alkaline earth doped ceria. -- Highlights: Black-Right-Pointing-Pointer Hydrothermally synthesized calcium doped ceria nanoparticles. Black-Right-Pointing-Pointer Incorporation of alkaline earth dopant into ceria lattice. Black-Right-Pointing-Pointer Raman and Rietveld structural characterization. Black-Right-Pointing-Pointer Calcium doped ceria ceramic pellets with high ionic conductivity. Black-Right-Pointing-Pointer Problems associated with the Sr{sup 2+} incorporation into ceria lattice.

  5. Effect of Composition and Impurities on the Phosphorescence of Green-Emitting Alkaline Earth Aluminate Phosphor.

    Directory of Open Access Journals (Sweden)

    Doory Kim

    Full Text Available Recent improvements to SrAl2O4:Eu2+, Dy3+ phosphors have enabled the use of luminescent hosts with a stable crystal structure and high physical and chemical stability, thus overcoming the bottleneck in the applicability of ZnS:Cu phosphors. However, enhancement of afterglow lifetime and brightness in SrAl2O4:Eu2+, Dy3+ phosphors remains a challenging task. Here, we have improved the afterglow characteristics in terms of persistence time and brightness by a systematic investigation of the composition of Eu-doped alkaline earth aluminate SrAl2O4:Eu2+, Dy3+ crystals. We found that a Dy3+/Eu2+ ratio of ~2.4 and ~0.935 mol Eu2+ (per mol of SrAl2O4 gave the brightest and longest emissions (11% and 9% increase for each. Doping with Si4+ also resulted in a slight increase in brightness up to ~15%. Doping with alkali metal or alkaline earth metal significantly enhanced the phosphorescence intensity. In particular, doping with 0.005 mol Li+ (per mol of SrAl2O4 alone boosted the phosphorescence intensity to 239% of the initial value, as compared to that observed for the non-doped crystal, while doping with 0.01 mol Mg2+ and 0.005 mol Li+ (per 1 mol SrAl2O4 boosted the phosphorescence intensity up to 313% of the initial value. The results of this investigation are expected to act as a guideline for the synthesis of bright and long persistent phosphors, and facilitate the development of persistent phosphors with afterglow characteristics superior to those of conventional phosphors.

  6. Effect of Composition and Impurities on the Phosphorescence of Green-Emitting Alkaline Earth Aluminate Phosphor

    Science.gov (United States)

    Kim, Doory; Kim, Han-Eol; Kim, Chang-Hong

    2016-01-01

    Recent improvements to SrAl2O4:Eu2+, Dy3+ phosphors have enabled the use of luminescent hosts with a stable crystal structure and high physical and chemical stability, thus overcoming the bottleneck in the applicability of ZnS:Cu phosphors. However, enhancement of afterglow lifetime and brightness in SrAl2O4:Eu2+, Dy3+ phosphors remains a challenging task. Here, we have improved the afterglow characteristics in terms of persistence time and brightness by a systematic investigation of the composition of Eu-doped alkaline earth aluminate SrAl2O4:Eu2+, Dy3+ crystals. We found that a Dy3+/Eu2+ ratio of ~2.4 and ~0.935 mol Eu2+ (per mol of SrAl2O4) gave the brightest and longest emissions (11% and 9% increase for each). Doping with Si4+ also resulted in a slight increase in brightness up to ~15%. Doping with alkali metal or alkaline earth metal significantly enhanced the phosphorescence intensity. In particular, doping with 0.005 mol Li+ (per mol of SrAl2O4) alone boosted the phosphorescence intensity to 239% of the initial value, as compared to that observed for the non-doped crystal, while doping with 0.01 mol Mg2+ and 0.005 mol Li+ (per 1 mol SrAl2O4) boosted the phosphorescence intensity up to 313% of the initial value. The results of this investigation are expected to act as a guideline for the synthesis of bright and long persistent phosphors, and facilitate the development of persistent phosphors with afterglow characteristics superior to those of conventional phosphors. PMID:26731086

  7. Rare earth metals. Lanthanides and third subgroup. A journey through the periodic table; Seltenerdmetalle. Lanthanoide und dritte Nebengruppe. Eine Reise durch das Periodensystem

    Energy Technology Data Exchange (ETDEWEB)

    Sicius, Hermann

    2015-07-01

    Hermann Sicius brings the reader concisely near all the important information about an important class of metallic raw materials. The eighteen metals of the lanthanides (rare earth metals) and the third subgroup are known only to a small part of the public, but of great importance for many future technologies. [German] Hermann Sicius bringt dem Leser in knapper Form alle wichtigen Informationen rund um eine wichtige Klasse metallischer Rohstoffe nahe. Die insgesamt achtzehn Metalle der Lanthanoide (Seltenerdmetalle) sowie der dritten Nebengruppe sind nur einem kleinen Teil der Oeffentlichkeit bekannt, aber von grosser Bedeutung fuer viele zukuenftige Technologien.

  8. IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 1. Introduction, Be and Mg

    Science.gov (United States)

    De Visscher, Alex; Vanderdeelen, Jan; Königsberger, Erich; Churagulov, Bulat R.; Ichikuni, Masami; Tsurumi, Makoto

    2012-03-01

    The alkaline earth carbonates are an important class of minerals. This volume compiles and critically evaluates solubility data of the alkaline earth carbonates in water and in simple aqueous electrolyte solutions. Part 1, the present paper, outlines the procedure adopted in this volume in detail, and presents the beryllium and magnesium carbonates. For the minerals magnesite (MgCO3), nesquehonite (MgCO3.3H2O), and lansfordite (MgCO3.5H2O), a critical evaluation is presented based on curve fits to empirical and/or thermodynamic models. Useful side products of the compilation and evaluation of the data outlined in the introduction are new relationships for the Henry constant of CO2 with Sechenov parameters, and for various equilibria in the aqueous phase including the dissociation constants of CO2(aq) and the stability constant of the ion pair MCO30(aq) (M = alkaline earth metal). Thermodynamic data of the alkaline earth carbonates consistent with two thermodynamic model variants are proposed. The model variant that describes the Mg2+-HCO3- ion interaction with Pitzer parameters was more consistent with the solubility data and with other thermodynamic data than the model variant that described the interaction with a stability constant.

  9. Influence of base strength on the catalytic performance of nano-sized alkaline earth metal oxides supported on carbon nanofibers

    NARCIS (Netherlands)

    Frey, A.M.; Yang, J.; Feche, C.; Essayem, N.; Stellwagen, D.R.; Figueras, F.; Jong, de K.P.; Bitter, J.H.

    2013-01-01

    Nano-sized (3 nm) alkaline earth metal oxides supported on carbon nanofibers were prepared by a facile impregnation and heat treatment method of the corresponding nitrates. These supported catalysts showed a significant improved activity for the aldol reaction and transesterification compared to the

  10. Electric dipole polarizabilities at imaginary frequencies for the alkali-metal, alkaline-earth, and inert gas atoms

    CERN Document Server

    Derevianko, Andrei; Babb, James F

    2009-01-01

    The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali-metal atoms, the alkaline earth atoms, and the inert gases are tabulated along with the resulting values of the atomic static polarizabilities, the atom-surface interaction constants, and the dispersion (or van der Waals) constants for the homonuclear and the heteronuclear diatomic combinations of the atoms.

  11. Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

    KAUST Repository

    Zhang, J.-Y.

    2013-04-05

    Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.

  12. Ab Initio Calculation of 19F NMR Chemical Shielding for Alkaline-earth-metal Fluorides

    Institute of Scientific and Technical Information of China (English)

    CAI,Shu-Hui(蔡淑惠); CHEN,Zhong,(陈忠); LU,Xin(吕鑫); CHEN,Zhi-Wei(陈志伟); WAN,Hui-Lin(万惠霖)

    2001-01-01

    Gauge-independent atomic orbital (GIAO) method atHartree-Fock (HF) and density functional theory (DFr) lev-els,respectively,was employed to calculate 19F NMR chemi-cal shieldings of solid state alkaline-earth-metal fluorides MF2 (M = Mg,Ca,Sr,Ba).The results show that,although thecalculated19F chemical shieldings tend to be larger than the experinental values,they have a fairly good linear relation-ship with the observed ones.The calculated results based on different combinations of basis sets show that the B3LYP (ahybrid of DFT with HF) predictions are greatly superior tothe I-IF predictions.When a basis set of metal atom with ef- fecfive core potential (ECP) has well representation of valencewavefunction,especially wavefuncfion of d component,andproper definition of core electron nmnher,it can be applied toobtain 19F chemical shielding which is dose to that of all-elec-tron calculation.Tne variation of 19F chemical shielding of al-kaline-earth-metal fluorides correlates well with the latticefactor A/R2.``

  13. Studies on the determination of trace amounts of nitrogen along with alkali and alkaline earth elements in uranium based samples by ion-chromatography (IC)

    International Nuclear Information System (INIS)

    Present report describes an ion chromatography (IC) method with suppressed conductivity detection for the determination of traces of nitrogen along with alkali and alkaline earth elements in uranium based nuclear fuels. Method was developed to determine nitrogen as NH4+ along with alkali and alkaline earth cations by IC using a cation exchange column. (author)

  14. Secret Lanthanides

    OpenAIRE

    Sturza, CM

    2014-01-01

    Abstract Lanthanides are a group of 15 chemical elements which, together with their salts, have come to be used in the last decade as homoeopathic remedies. The effective introduction of lanthanides and their salts into the clinical use, as homoeopathic remedies was based on the idea of Jan Scholten, MD to relate their physicochemical properties shown in the periodic table of elements to their homoeopathic potential. The lanthanides and their salts were prepared as homoeopathic remedies by Ph...

  15. Optical absorption, fluorescence and thermoluminescence of CaF2 single crystals doped with lanthanide rare earth ions

    International Nuclear Information System (INIS)

    Optical Absorption (OA) , Fluorescence (FL) and Thermoluminescence (TL) experiments were carried out in X-irradiated CaF2 crystals doped with most of the Lanthanide Rare Earth (RE) ions, Yttrium, and with both RE ions Dysprosium and Terbium. All optical Absorption and Fluorescence measurements as well as optical bleaching and X-irradiation were performed at RT while the TL measurements were done i n the RT- 800K range. Every RE-doped specimen has been fully characterized by its OA and FL bands due to the RE ion-electronic transitions. Most of the RE ions which substitutes for a Ca2+ ion in the CaF2 lattice is in the trivial state, being reduced to the divalent state by X-irradiation. The TL results for X-irradiated CaF2:Tb , CaF2:Dy and CaF2:Ho specimens show that the mechanism proposed f o r the 4K-300K TL processing these crystals is also valid for the 300K - 800K temperature range. The photochromic (PC) effect in X-irradiated Tb-doped CaF2 crystals upon thermal and optical bleaching has been detected. Optical experiments in CaF2:Tb,Dy show that the observed PC effect is due to photo switched reversibility of an electron between two states, the thermally stable original state and the ionized stat PC - e- -> PC+, Tb3+ e- -. Tb2+. The regeneration of the OA bands is achieved thermally (-100 deg C) and optically (λVis>400nm) with further UV blenching. A detailed analysis of the OA spectra of CaF2:Tb crystals X=irradiated and thermally as well as optically bleached show that besides the photo switching, electron-hole recombination occurs leading to a decrease in the overall OA spectrum. The OA bands due to PC-, PC+ and Tb2+ - transitions have been identified by means of Optical Absorption Differential Analysis. Further studies of Photochromic color centers in CaF2:Tb crystals show that some of the OA bands detected i the 15Kcm-1 - 20Kcm-1 spectral region are due to hole centers. The TL emissions peaks resulting from the thermal destruction of the PC and PC+ centers

  16. Characterization of alkali-metal and alkaline-earth nitrates by vibrational spectroscopy

    Directory of Open Access Journals (Sweden)

    Martínez, S.

    1992-09-01

    Full Text Available Infrared spectra of sodium and potassium alkaline-metal nitrates and magnesium and calcium alkali-earth nitrates in solid phase had been recorded in order to assign the fundamental bands. The influence of the dispersal médium (alkaline halide, employed in the solid sample preparation have been discussed. The quantitative measurements of the band in ten sities at 1387 cm-1 (present in the I.R. spectra of the four nitrates in KBr médium allowed us to determine the Lambert-Beer law slopes for each compound. These values are differents (bearing in mind experimental random errors, so we have could to affirm the nonexistence of solid solution between the nitrate and the alkaline halide médium. The L-B law obtained by us can be used for the Identification differentiation and quantitative analysis of these nitrates in solid phase, even if they are present in a very low concentration.

    Se ha realizado la asignación de los espectros infrarrojo (IR de los nitratos alcalinos, sódico y potásico, y de los alcalinotérreos, magnésico y cálcico, en estado sólido. Se ha visto la influencia del medio dispersante (haluro alcalino, utilizado en la preparación de la muestra sólida. El estudio cuantitativo de la absorbencia de la banda a 1.387 cm-1 (presente en los espectros IR de los cuatro nitratos en medio KBr permite determinar las pendientes de la Ley de Lambert-Beer Se comprueba que dichas pendientes son diferentes lo que conduce a poder afirmar que no se produce disolución sólida entre el KBr y el nitrato alcalino o alcalinotérreo. La determinación de la ley de Lambert-Beer permite la identificación y el análisis cualitativo y cuantitativo por espectroscopia IR de estos nitratos cuando están presentes en bajas concentraciones en muestras sólidas.

  17. Lanthanides and actinides among other groups of elements of the D.I. Mendeleev's Periodic Table

    International Nuclear Information System (INIS)

    The extent to which actinides are similar to other elements of the periodic table is discussed. Actinides show certain similarity with transition metals in trends in variation of stability of the highest and lowest oxidation states with increasing atomic number. Similarity between elements of the first half of the lanthanide family and those of the second half of the actinides family is demonstrated. In the lowest oxidation states, actinides and lanthanide are analogs of alkali and alkaline-earth elements, and in the tetravalent state they start to exhibit noticeable similarity with d elements. The formation of Pu(VIII) is suggested on the basis of essentially similar volatility of oxides of Os and Ru with that of Pu. Bivalent actinides and lanthanide ions with one d electron are of particular interest. Being analogs of bivalent elements, they form various types of clusters

  18. Superconducting critical fields of alkali and alkaline-earth intercalates of MoS2

    Science.gov (United States)

    Woollam, J. A.; Somoano, R. B.

    1976-01-01

    Results are reported for measurements of the critical-field anisotropy and temperature dependence of group-VIB semiconductor MoS2 intercalated with the alkali and alkaline-earth metals Na, K, Rb, Cs, and Sr. The temperature dependences are compared with present theories on the relation between critical field and transition temperature in the clean and dirty limits over the reduced-temperature range from 1 to 0.1. The critical-field anisotropy data are compared with predictions based on coupled-layers and thin-film ('independent-layers') models. It is found that the critical-field boundaries are steep in all cases, that the fields are greater than theoretical predictions at low temperatures, and that an unusual positive curvature in the temperature dependence appears which may be related to the high anisotropy of the layer structure. The results show that materials with the largest ionic intercalate atom diameters and hexagonal structures (K, Rb, and Cs compounds) have the highest critical temperatures, critical fields, and critical-boundary slopes; the critical fields of these materials are observed to exceed the paramagnetic limiting fields.

  19. Thermodynamic properties of titanates, zirconates and hafnates of alkaline earth metals

    International Nuclear Information System (INIS)

    The problems are considered arising in critical analysis and choosing recommended values of thermodynamic constants of the series of the most important perovskites-ferroelectrics-titanates, zirconates, and hafnates of alkaline-earth metals finding application in modern radioelectronics. Recommended values of standard thermodynamic values are given: heat capacity Csub(p,298) , enthalpy change H298-H0, entropy S298, heat formation ΔHsub(f,298 ), free energy formation ΔGsub(f,298) , temperatures and heats of phase transitions with indication of errors for the adopted values. The effect of impurities on thermal constants of phase transitions is discussed. The relationships between thermodynamic characteristics of perovskites and crystal structure as well as the effect of orthorhombic distortions of ideal perovskite lattice on entropy of the compounds have been considered. Along with thermodynamic methods of investigation, a great attention is given to other physical methods which have been used for finding temperature regions of phase transitions, Curie points, and temperatures of transition from ferroelectric to paraelectric state. The importance of physical methods is emphasized in those cases when phase transitions are accompanied by small energy changes and are not fixed in measuring heat capacity

  20. CP(N - 1) quantum field theories with alkaline-earth atoms in optical lattices

    Science.gov (United States)

    Laflamme, C.; Evans, W.; Dalmonte, M.; Gerber, U.; Mejía-Díaz, H.; Bietenholz, W.; Wiese, U.-J.; Zoller, P.

    2016-07-01

    We propose a cold atom implementation to attain the continuum limit of (1 + 1) -d CP(N - 1) quantum field theories. These theories share important features with (3 + 1) -d QCD, such as asymptotic freedom and θ-vacua. Moreover, their continuum limit can be accessed via the mechanism of dimensional reduction. In our scheme, the CP(N - 1) degrees of freedom emerge at low energies from a ladder system of SU(N) quantum spins, where the N spin states are embodied by the nuclear Zeeman states of alkaline-earth atoms, trapped in an optical lattice. Based on Monte Carlo results, we establish that the continuum limit can be demonstrated by an atomic quantum simulation by employing the feature of asymptotic freedom. We discuss a protocol for the adiabatic preparation of the ground state of the system, the real-time evolution of a false θ-vacuum state after a quench, and we propose experiments to unravel the phase diagram at non-zero density.

  1. CP(N-1) Quantum Field Theories with Alkaline-Earth Atoms in Optical Lattices

    CERN Document Server

    Laflamme, C; Dalmonte, M; Gerber, U; Mejía-Díaz, H; Bietenholz, W; Wiese, U -J; Zoller, P

    2015-01-01

    We propose a cold atom implementation to attain the continuum limit of (1+1)-d CP(N-1) quantum field theories. These theories share important features with (3+1)-d QCD, such as asymptotic freedom and $\\theta$ vacua. Moreover, their continuum limit can be accessed via the mechanism of dimensional reduction. In our scheme, the CP(N-1) degrees of freedom emerge at low energies from a ladder system of SU(N) quantum spins, where the N spin states are embodied by the nuclear Zeeman states of alkaline-earth atoms, trapped in an optical lattice. Based on Monte Carlo results, we establish that the continuum limit can be demonstrated by an atomic quantum simulation by employing the feature of asymptotic freedom. We discuss a protocol for the adiabatic state preparation of the ground state of the system, the real-time evolution of a false $\\theta$-vacuum state after a quench, and we propose experiments to unravel the phase diagram at non-zero density.

  2. Surface fractal dimensions and textural properties of mesoporous alkaline-earth hydroxyapatites

    Energy Technology Data Exchange (ETDEWEB)

    Vilchis-Granados, J. [Instituto Nacional de Investigaciones Nucleares, Departamento de Química, A.P. 18-1027, Col. Escandón, Delegación Miguel Hidalgo, C.P. 11801, México, DF (Mexico); Universidad Autónoma del Estado de México, Facultad de Química, Av. Paseo Colón esquina con Paseo Tollocan s/n Toluca, México (Mexico); Granados-Correa, F., E-mail: francisco.granados@inin.gob.mx [Instituto Nacional de Investigaciones Nucleares, Departamento de Química, A.P. 18-1027, Col. Escandón, Delegación Miguel Hidalgo, C.P. 11801, México, DF (Mexico); Barrera-Díaz, C.E. [Universidad Autónoma del Estado de México, Facultad de Química, Av. Paseo Colón esquina con Paseo Tollocan s/n Toluca, México (Mexico)

    2013-08-15

    This work examines the surface fractal dimensions (D{sub f}) and textural properties of three different alkaline-earth hydroxyapatites. Calcium, strontium and barium hydroxyapatite compounds were successfully synthesized via chemical precipitation method and characterized using X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectrometry, Fourier transform infrared spectroscopy, and N{sub 2}-physisorption measurements. Surface fractal dimensions were determined using single N{sub 2}-adsorption/desorption isotherms method to quantify the irregular surface of as-prepared compounds. The obtained materials were also characterized through their surface hydroxyl group content, determined by the mass titration method. It was found that the D{sub f} values for the three materials covered the range of 0.77 ± 0.04–2.33 ± 0.11; these results indicated that the materials tend to have smooth surfaces, except the irregular surface of barium hydroxyapatite. Moreover, regarding the synthesized calcium hydroxyapatite exhibited better textural properties compared with the synthesized strontium and barium hydroxyapatites for adsorbent purposes. However, barium hydroxyapatite shows irregular surface, indicating a high population of active sites across the surface, in comparison with the others studied hydroxyapatites. Finally, the results showed a linear correlation between the surface hydroxyl group content at the external surface of materials and their surface fractal dimensions.

  3. Structure of alkaline-earth pentafluoroantimonates(III), MSbF5(M=Sr, Ba)

    International Nuclear Information System (INIS)

    Strontium pentafluoroantimonate(III), SrSbF5, Mr=304.36, orthorhombic, Pbcm, a=4.378 (1), b=8.853 (3), c=11.233 (4) A, V=435.4 (3) A3, Z=4, Dm=4.60, Dx=4.64 Mg m-3, Mo Kα, λ=0.71069 A, μ=18.9 mm-1, F(000)=536, T=298 K, R=0.028 for 596 independent reflections with I>3α(I). Barium pentafluoroantimonate(III), BaSbF5, Mr=354.08, orthorhombic, Pbcm, a=4.676 (1), b=9.313 (2), c=11.213 (3) A, V=488.3 (2) A3, Z=4, Dm=4.77, Dx=4.82 Mg m-3, Mo Kα, λ=0.71069 A, μ=13.6 mm-1, F(000)=608, T=298 K, R=0.015 for 914 independent reflections with I>3σ(I). SrSbF5 and BaSbF5 are isostructural compounds. The three-dimensional network consists of isolated SbF52- units which are connected by ten-coordinated alkaline-earth ions Sr2+ or Ba2+. The geometry of these pentafluoroantimonate ions is approximately square pyramidal with the Sb atom outside the pyramid, below the four F atoms constituting the basal plane. (orig.)D

  4. IR and Raman spectroscopic studies of sol–gel derived alkaline-earth silicate glasses

    Indian Academy of Sciences (India)

    Angelos G Kalampounias

    2011-04-01

    IR and Raman spectroscopies have been utilized to study the structure and vibrational modes of sol–gel-derived binary silicate glasses. The present study is motivated by the immense geological significance and focuses on the MO–SiO2 (M = Ca, Mg) binary systems in an effort to unveil the role of the CaO and MgO modifiers when incorporated to the 3D silica structure. Glasses in the composition range = 0, 0.1, 0.2, 0.3 and 0.4 prepared by the sol–gel method were compared with the corresponding glasses formed by appropriate mixing of SiO2 and MO powders through melting and fast cooling. The vibrational spectra of the sol–gel-derived glasses have revealed considerable changes in relative intensities as a function of the MO mole fraction. These changes signify structural modifications on the silica network. The population of the 3 species was found to increase for both modified silicate systems. The rate of increase is more pronounced in the CaO–SiO2 glasses. The extent of network depolymerization in the porous glass is higher at the same content of alkaline earth oxide compared to the bulk glass. The results are indicative of a more `defective’ nature of the sol–gel glasses compared to the corresponding melt-quenched ones.

  5. Mixed alkali effect on the spectroscopic properties of alkali-alkaline earth oxide borate glasses

    Science.gov (United States)

    Srinivas, G.; Ramesh, B.; Shareefuddin, Md.; Chary, M. N.; Sayanna, R.

    2016-05-01

    The mixed alkali and alkaline earth oxide borate glass with the composition xK2O - (25-x) Li2O-12.5BaO-12.5MgO-50B2O3 (x = 0, 5, 10, 15, 20 and 25mol %) and doped with 1mol% CuO were prepared by the melt quenching technique. From the optical absorption spectra the optical band gap, electronic polarizability(α02-), interaction parameter (A), theoretical and experimental optical basicity (Λ) values were evaluated. From the Electron Paramagnetic Resonance (EPR) spectral data the number of spins (N) and susceptibility (χ) were evaluated. The values of (α02-), and (Λ) increases with increasing of K2O content and electronic polarizability and interaction parameter show opposite behaviuor which may be due to the creation of non-bridging oxygens and expansion of borate network. The reciprocal of susceptibility (1/χ) and spin concentration (N) as a function of K2O content, varied nonlinearly which may be due to creation of non-bridging oxygens in the present glass system. This may be attributed to mixed alkali effect (MAE).

  6. Optimizing the performance of bandpass photon detectors for inverse photoemission: Transmission of alkaline earth fluoride window crystals

    International Nuclear Information System (INIS)

    Bandpass photon detectors are widely used in inverse photoemission in the isochromat mode at energies in the vacuum-ultraviolet spectral range. The energy bandpass of gas-filled counters is usually formed by the ionization threshold of the counting gas as high-pass filter and the transmission cutoff of an alkaline earth fluoride window as low-pass filter. The transmission characteristics of the window have, therefore, a crucial impact on the detector performance. We present transmission measurements in the vacuum-ultraviolet spectral range for alkaline earth fluoride window crystals in the vicinity of the transmission cutoff as a function of crystal purity, surface finish, surface contamination, temperature, and thickness. Our findings reveal that the transmission characteristics of the window crystal and, thus, the detector performance depend critically on these window parameters

  7. Microcalorimetric study on host-guest complexation of naphtho-15-crown-5 with four ions of alkaline earth metal*

    OpenAIRE

    Song, Ming-Zhi; Zhu, Lan-ying; Gao, Xi-ke; Dou, Jian-Min; Sun, De-zhi

    2004-01-01

    Thermodynamic parameters of complexation of naphto-15-crown-5 with four alkaline earth ions in aqueous media was determined using titration microcalorimetry at 298.15 K. The stability of the complexes, thermal effect and entropy effect of the complexation is discussed on the basis of the guest ions structure and the solvent effect. The stability constants tendency to vary with ion radius was interpreted. Complex of naphtha-15-crown-5 with calcium ion is very stable due to the synergism of sta...

  8. Preparing poly(aryl ethers) using alkaline earth metal carbonates, organic acid salts, and optionally copper compounds, as catalysts

    International Nuclear Information System (INIS)

    This patent describes an improved process for preparing poly(aryl ethers) and poly(aryl ether ketones) by the reaction of a mixture of at least one bisphenol and at least one dihalobenzenoid compound, and/or a halophenol. The improvement comprises providing to the reaction, a base which is a combination of an alkaline earth metal carbonate and/or bicarbonate and a potassium, rubidium, or cesium salt of an organic acid or combination of organic salts thereof

  9. Preparing poly(aryl ethers) using alkaline earth metal carbonates, organic acid salts, and optionally copper compounds, as catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Winslow, P.A.; Kelsey, D.R.; Matzner, M.

    1988-09-27

    This patent describes an improved process for preparing poly(aryl ethers) and poly(aryl ether ketones) by the reaction of a mixture of at least one bisphenol and at least one dihalobenzenoid compound, and/or a halophenol. The improvement comprises providing to the reaction, a base which is a combination of an alkaline earth metal carbonate and/or bicarbonate and a potassium, rubidium, or cesium salt of an organic acid or combination of organic salts thereof.

  10. Analysis of the electronic dipole polarizability of ions in cubic oxides, fluorides, and sulfides of alkaline earth elements

    International Nuclear Information System (INIS)

    A new approach to calculating the electronic dipole polarizability of ions in crystals which is based on an analysis of the relationship between the electronic dipole polarizability of ion and its effective charge has been proposed. It is shown that applying this method to simple cubic oxides, fluorides, and sulfides of alkaline earth elements yields makes the calculation results consistent with the well-known data on the structure and type of bonds in these compounds.

  11. Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials

    OpenAIRE

    David Parker and David J Singh

    2013-01-01

    We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead c...

  12. The etching process of boron nitride by alkali and alkaline earth fluorides under high pressure and high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Guo, W., E-mail: guowei1982cry@163.com [College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); National Key Lab of Superhard Materials, Jilin University, Changchun 130012 (China); Ma, H.A.; Jia, X. [National Key Lab of Superhard Materials, Jilin University, Changchun 130012 (China)

    2014-03-01

    Graphical abstract: - Highlights: • Appropriate etch processes of hBN and cBN under HPHT are proposed. • The degree of the crystallization of hBN was decreased. • A special cBN growth mechanism with a triangular unit is proposed. • Plate-shape cBN crystals with large ratio of length to thickness were obtained. • A strategy provides useful guidance for controlling the cBN morphology. - Abstract: Some new etching processes of hexagonal boron nitride (hBN) and cubic boron nitride (cBN) under high pressure and high temperature in the presence of alkali and alkaline earth fluorides have been discussed. It is found that hBN is etched distinctly by alkali and alkaline earth fluorides and the morphology of hBN is significantly changed from plate-shape to spherical-shape. Based on the “graphitization index” values of hBN, the degree of the crystallization of hBN under high pressure and high temperature decreases in the sequence of LiF > CaF{sub 2} > MgF{sub 2}. This facilitates the formation of high-quality cBN single crystals. Different etch steps, pits, and islands are observed on cBN surface, showing the strong etching by alkali and alkaline earth fluorides and the tendency of layer-by-layer growth. A special layer growth mechanism of cBN with a triangular unit has been found. Furthermore, the morphologies of cBN crystals are apparently affected by a preferential surface etching of LiF, CaF{sub 2} and MgF{sub 2}. Respectively, the plate-shape and tetrahedral cBN crystals can be obtained in the presence of different alkali and alkaline earth fluorides.

  13. The etching process of boron nitride by alkali and alkaline earth fluorides under high pressure and high temperature

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • Appropriate etch processes of hBN and cBN under HPHT are proposed. • The degree of the crystallization of hBN was decreased. • A special cBN growth mechanism with a triangular unit is proposed. • Plate-shape cBN crystals with large ratio of length to thickness were obtained. • A strategy provides useful guidance for controlling the cBN morphology. - Abstract: Some new etching processes of hexagonal boron nitride (hBN) and cubic boron nitride (cBN) under high pressure and high temperature in the presence of alkali and alkaline earth fluorides have been discussed. It is found that hBN is etched distinctly by alkali and alkaline earth fluorides and the morphology of hBN is significantly changed from plate-shape to spherical-shape. Based on the “graphitization index” values of hBN, the degree of the crystallization of hBN under high pressure and high temperature decreases in the sequence of LiF > CaF2 > MgF2. This facilitates the formation of high-quality cBN single crystals. Different etch steps, pits, and islands are observed on cBN surface, showing the strong etching by alkali and alkaline earth fluorides and the tendency of layer-by-layer growth. A special layer growth mechanism of cBN with a triangular unit has been found. Furthermore, the morphologies of cBN crystals are apparently affected by a preferential surface etching of LiF, CaF2 and MgF2. Respectively, the plate-shape and tetrahedral cBN crystals can be obtained in the presence of different alkali and alkaline earth fluorides

  14. pH coupled co-precipitation of alkaline-earth carbonates and silica - complex materials from simple chemistry

    OpenAIRE

    Eiblmeier, Josef

    2013-01-01

    The present work deals with the mineralization of alkaline-earth carbonates (mainly barium carbonate) from dilute silica solutions at high pH. It has for long been known that the concerted interaction between these purely inorganic components leads to amazing architectures with intricately curved and helical shapes, which were termed silica-carbonate biomorphs. Recently a general concept was proposed by García-Ruiz and co-workers that explains the spontaneous formation of these biomimetic agg...

  15. Ocean-Based Alkalinity Enhancement: Mitigation Potential, Side Effects and the Fate of Added Alkalinity Assessed in an Earth System Model

    Science.gov (United States)

    Gonzalez, M. F.; Ilyina, T.

    2014-12-01

    Artificial ocean alkalinization (AOA) has been proposed as a mean to mitigate climate change and ocean acidification. Whilst the mitigation potential of this geo-engineering technology may sound promising, it poses environmental risks. Within the Priority Program "Climate Engineering" of the German Science Foundation (DFG), we investigate the mitigation potential of AOA to reduce atmospheric CO2 and counteract the consequences of ocean acidification. We are particularly interested in the residence time of the added alkalinity at the ocean surface because it must stay in the upper ocean in order to increase the oceanic CO2 uptake. The mitigation potential, risks and the unintended consequences of this geo-engineering method are also exhaustively studied. These questions are tackled through the analysis of different alkalinity enhancement scenarios in the state-of-the-art Earth system model of the Max Planck Institute for Meteorology (MPI-ESM) in a configuration based on the fifth phase of the Coupled Model Intercomparison Project (CMIP5). Model scenarios are designed so that AOA is performed to keep the atmospheric CO2 concentrations similar to values of the stabilization scenario RCP4.5, while fossil fuel CO2 emissions follow the pathway of the high-CO2 scenario RCP8.5. Alkalinity is added globally into the upper 12 meters of the ocean in different seasons and years. We found that on the time scale of relevance (i.e. from years to decades), season and location are key aspects to take into account in the implementation of AOA. This is because of inhomogeneous vertical mixing of added alkalinity due to the mixed layer depth which is established by the season. We also show that the rate of addition greatly determines impact and outcome of this geo-engineering method. Changes driven by the implementation of this method in the ocean biogeochemistry are also discussed. For instance, the associated changes in the carbon cycle, marine oxygen levels, saturation state of

  16. The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes.

    Science.gov (United States)

    Bellham, Peter; Anker, Mathew D; Hill, Michael S; Kociok-Köhn, Gabriele; Mahon, Mary F

    2016-09-21

    a modified mechanism for group 2-mediated dimethylamine borane dehydrocoupling that is dependent on the intermediacy of key derivatives of the [NMe2·BH3](-) and [NMe2BH2NMe2BH3](-) anions but does not require the formation of high energy alkaline earth hydride intermediates. Although these results are specifically focussed on the applications of alkaline earth species, this mechanistic insight may also be relevant to other redox-inactive main group element-based systems and to our understanding of hydrogen evolution from saline derivatives of ammonia borane. PMID:27529536

  17. Many-body forces and stability of the alkaline-earth tetramers

    International Nuclear Information System (INIS)

    Graphical abstract: Many-body forces effect. In a three-particle system, the two-body interaction energies depend upon coordinates of all three particles. The comparative study of the interaction energy and its many-body decomposition for alkaline-earths tetramers Be4, Mg4, and Ca4 at the all-electron CCSD(T)/aug-cc-pVQZ level is performed. For study of dependence of the binding energy and the orbital population on the cluster size the corresponding dimers and trimers were also calculated at the same level of theory. In comparison with weakly bound dimers, the binding energy in trimers and, especially, in tetramers drastically increases; e.g., Eb/N in Be3 is 7 times larger and in Be4 is 18.4 times larger than in Be2. This sharp increase is explained as a manifestation of many-body forces. The trimers and tetramers are stabilized by the three-body forces, whereas the two- and four-body forces are repulsive. The attractive contribution to the three-body forces has a three-atom electron exchange origin. The natural bond orbital (NBO) population analysis reveals a relatively large np-population in trimers and tetramers. The population of the valence np-orbitals leads to the sp-hybridization providing the covalent bonding. Research highlights: → The alkaline-earths trimers and tetramers are stabilized by the three-body forces. → Two- and four-body forces are repulsive for trimers and tetramers. → The attractive contribution to the three-body forces has a three-atom electron exchange origin. → The population of the np-orbitals leads to the sp-hybridization providing the covalent bonding. - Abstract: The comparative study of the interaction energy and its many-body decomposition for Be4, Mg4, and Ca4 at the all-electron CCSD(T)/aug-cc-pVQZ level is performed. For study of dependence of the binding energy and the orbital population on the cluster size the corresponding dimers and trimers were also calculated at the same level of theory. In comparison with weakly

  18. Many-body forces and stability of the alkaline-earth tetramers

    Energy Technology Data Exchange (ETDEWEB)

    Diaz-Torrejon, C.C. [Centro Nacional de Supercomputo, IPICyT, A.C., Camino a la Presa San Jose 2055, 78216 San Luis Potosi, SLP (Mexico); Centro de Investigacion en Materiales Avanzados, S.C., Av. Miguel de Cervantes 120, 31109 Chihuahua, Chih. (Mexico); Kaplan, Ilya G., E-mail: kaplan@iim.unam.mx [Instituto de Investigaciones en Materiales, UNAM, Apdo. Postal 70-360, 04510 Mexico D.F. (Mexico)

    2011-03-18

    Graphical abstract: Many-body forces effect. In a three-particle system, the two-body interaction energies depend upon coordinates of all three particles. The comparative study of the interaction energy and its many-body decomposition for alkaline-earths tetramers Be{sub 4}, Mg{sub 4}, and Ca{sub 4} at the all-electron CCSD(T)/aug-cc-pVQZ level is performed. For study of dependence of the binding energy and the orbital population on the cluster size the corresponding dimers and trimers were also calculated at the same level of theory. In comparison with weakly bound dimers, the binding energy in trimers and, especially, in tetramers drastically increases; e.g., E{sub b}/N in Be{sub 3} is 7 times larger and in Be{sub 4} is 18.4 times larger than in Be{sub 2}. This sharp increase is explained as a manifestation of many-body forces. The trimers and tetramers are stabilized by the three-body forces, whereas the two- and four-body forces are repulsive. The attractive contribution to the three-body forces has a three-atom electron exchange origin. The natural bond orbital (NBO) population analysis reveals a relatively large np-population in trimers and tetramers. The population of the valence np-orbitals leads to the sp-hybridization providing the covalent bonding. Research highlights: {yields} The alkaline-earths trimers and tetramers are stabilized by the three-body forces. {yields} Two- and four-body forces are repulsive for trimers and tetramers. {yields} The attractive contribution to the three-body forces has a three-atom electron exchange origin. {yields} The population of the np-orbitals leads to the sp-hybridization providing the covalent bonding. - Abstract: The comparative study of the interaction energy and its many-body decomposition for Be{sub 4}, Mg{sub 4}, and Ca{sub 4} at the all-electron CCSD(T)/aug-cc-pVQZ level is performed. For study of dependence of the binding energy and the orbital population on the cluster size the corresponding dimers and

  19. Accumulation of alkaline earth metals by the green macroalga Bryopsis maxima.

    Science.gov (United States)

    Takahashi, Shigekazu; Aizawa, Kyoko; Nakamura, Saki; Nakayama, Katsumi; Fujisaki, Shingo; Watanabe, Soichiro; Satoh, Hiroyuki

    2015-04-01

    Twenty-five days after the disaster at the Fukushima Daiichi nuclear power plant in 2011, we collected samples of the green macroalga Bryopsis maxima from the Pacific coast of Japan. Bryopsis maxima is a unicellular, multinuclear, siphonous green macroalga. Radiation analysis revealed that B. maxima emitted remarkably high gamma radiation of (131)I, (134)Cs, (137)Cs, and (140)Ba as fission products of (235)U. Interestingly, B. maxima contained naturally occurring radionuclides derived from (226)Ra and (228)Ra. Analysis of element content revealed that B. maxima accumulates many ocean elements, especially high quantities of the alkaline earth metals Sr (15.9 g per dry-kg) and Ba (3.79 g per dry-kg), whereas Ca content (12.5 g per dry-kg) was lower than that of Sr and only 61 % of the mean content of 70 Japanese seaweed species. Time-course analysis determined the rate of radioactive (85)Sr incorporation into thalli to be approximately 0.13 g Sr per dry-kg of thallus per day. Subcellular fractionation of B. maxima cells showed that most of the (85)Sr was localized in the soluble fraction, predominantly in the vacuole or cytosol. Given that (85)Sr radioactivity was permeable through a dialysis membrane, the (85)Sr was considered to be a form of inorganic ion and/or bound with a small molecule. Precipitation analysis with sodium sulfate showed that more than 70% of the Sr did not precipitate as SrSO4, indicating that a proportion of the Sr may bind with small molecules in B. maxima. PMID:25744028

  20. Alkaline-Earth-Catalysed Cross-Dehydrocoupling of Amines and Hydrosilanes: Reactivity Trends, Scope and Mechanism.

    Science.gov (United States)

    Bellini, Clément; Dorcet, Vincent; Carpentier, Jean-François; Tobisch, Sven; Sarazin, Yann

    2016-03-18

    Alkaline-earth (Ae=Ca, Sr, Ba) complexes are shown to catalyse the chemoselective cross-dehydrocoupling (CDC) of amines and hydrosilanes. Key trends were delineated in the benchmark couplings of Ph3 SiH with pyrrolidine or tBuNH2 . Ae{E(SiMe3 )2 }2 ⋅(THF)x (E=N, CH; x=2-3) are more efficient than {N^N}Ae{E(SiMe3 )2 }⋅(THF)n (E=N, CH; n=1-2) complexes (where {N^N}(-) ={ArN(o-C6 H4 )C(H)=NAr}(-) with Ar=2,6-iPr2 -C6 H3 ) bearing an iminoanilide ligand, and alkyl precatalysts are better than amido analogues. Turnover frequencies (TOFs) increase in the order Ca30 products) includes diamines and di(hydrosilane)s. Kinetic analysis of the Ba-promoted CDC of pyrrolidine and Ph3 SiH shows that 1) the kinetic law is rate=k[Ba](1) [amine](0) [hydrosilane](1) , 2) electron-withdrawing p-substituents on the arylhydrosilane improve the reaction rate and 3) a maximal kinetic isotopic effect (kSiH /kSiD =4.7) is seen for Ph3 SiX (X=H, D). DFT calculations identified the prevailing mechanism; instead of an inaccessible σ-bond-breaking metathesis pathway, the CDC appears to follow a stepwise reaction path with N-Si bond-forming nucleophilic attack of the catalytically competent Ba pyrrolide onto the incoming silane, followed by rate limiting hydrogen-atom transfer to barium. The participation of a Ba silyl species is prevented energetically. The reactivity trend Ca

  1. Glass-ceramics of alkaline earth chloroaptites as matrices for nuclear waste immobilization

    International Nuclear Information System (INIS)

    Pyrochemical reprocessing is the best suited process for irradiated metallic fuel. Molten salt electro-refining is the most important step to remove U and Pu from the spent metallic fuel by this process. After the electro-refining process the radioactive waste (chloride salts) need to be disposed of in suitable matrices. The current process to treat the chloride waste is to incorporate it in glass-bonded sodalites. In the present study, attempts are made to develop a suitable matrix to immobilize chloride wastes with simple and relatively low temperature processes. Apatites are naturally occurring minerals with a general formula of M10(PO4)6X2, (M= Ca, Sr, Ba; X= OH,CI,F) with a hexagonal crystal structure (S.G : P63/m). Apatites can accommodate alkaline earth and various other aliovalent cations (rare earth etc.) into its crystal structure along with Cl. Apatites are also known to have high resistance to leaching of the constituent elements under geological conditions. It may not be possible to immobilize the whole spectrum of the pyrochemical waste in a single phase M10(PO4)6Cl2, M=Ca, Sr, Ba. However, M-chloroapatite encapsulated in borosilicate glass (BSG) can immobilize most of the radwaste elements in the composite matrix (glass bonded chloroapatite), thus utilizing the immobilizing efficiency of both the ceramic phase and BSG. The apatite glass-ceramics were prepared by mixing and heat-treating stoichiometric concentrations of apatite forming reagents, 20 wt. % borosilicate glass (BSG), and known concentrations (10-15 wt %) of simulated chloride wastes. The mixture of reactants was heated in a platinum crucible at 1023 K for 5h in air. The powders were characterized by XRD to confirm the formation of M10(PO4)6Cl2 (abbreviated to MApCI, M=Ca,Sr,Ba) and glass bonded chloroapatite composites. The surface morphology and qualitative chemical composition of the powders were examined by SEM and EDX. Thermal expansion and glass transition temperature of the matrices

  2. Thorium, Uranium and Rare Earth Elements content in lanthanide concentrate (LC) and water leach purification (WLP) residue of Lynas Advanced Materials Plant (LAMP)

    International Nuclear Information System (INIS)

    Full-text: Lynas Advanced Materials Plant (LAMP) has been licensed to produce the rare earths elements since early 2013 in Malaysia. LAMP processes lanthanide concentrate (LC) to extract rare earth elements and subsequently produce large volumes of water leach purification (WLP) residue containing naturally occurring radioactive material (NORM). This residue has been rising up the environmental issue because it was suspected to accumulate thorium with significant activity concentration and has been classified as radioactive residue. The aim of this study is to determine Th-232, U-238 and rare earth elements in lanthanide concentrate (LC) and water leach purification (WLP) residue collected from LAMP and to evaluate the potential radiological impacts of the WLP residue on the environment. Instrumental Neutron Activation Analysis and γ-spectrometry were used for determination of Th, U and rare earth elements concentrations. The results of this study found that the concentration of Th in LC was 1289.7 ± 129 ppm (5274.9 ± 527.6 Bq/ kg) whereas the Th and U concentrations in WLP were determined to be 1952.9 ± 17.6 ppm (7987.4 ± 71.9 Bq/ kg) and 17.2 ± 2.4 ppm respectively. The concentrations of Th and U in LC and WLP samples determined by γ- spectrometry were 1156 ppm (4728 ± 22 Bq/ kg) and 18.8 ppm and 1763.2 ppm (7211.4 Bq/ kg) and 29.97 ppm respectively. This study showed that thorium concentrations were higher in WLP compare to LC. This study also indicate that WLP residue has high radioactivity of 232Th compared to Malaysian soil natural background (63 - 110 Bq/ kg) and come under preview of Act 304 and regulations. In LC, the Ce and Nd concentrations determined by INAA were 13.2 ± 0.6 % and 4.7 ± 0.1 % respectively whereas the concentrations of La, Ce, Nd and Sm in WLP were 0.36 ± 0.04 %, 1.6 %, 0.22 % and 0.06 % respectively. This result showed that some amount of rare earth had not been extracted and remained in the WLP and may be considered to be re

  3. Thorium, uranium and rare earth elements content in lanthanide concentrate (LC) and water leach purification (WLP) residue of Lynas advanced materials plant (LAMP)

    Science.gov (United States)

    AL-Areqi, Wadeeah M.; Majid, Amran Ab.; Sarmani, Sukiman

    2014-02-01

    Lynas Advanced Materials Plant (LAMP) has been licensed to produce the rare earths elements since early 2013 in Malaysia. LAMP processes lanthanide concentrate (LC) to extract rare earth elements and subsequently produce large volumes of water leach purification (WLP) residue containing naturally occurring radioactive material (NORM). This residue has been rising up the environmental issue because it was suspected to accumulate thorium with significant activity concentration and has been classified as radioactive residue. The aim of this study is to determine Th-232, U-238 and rare earth elements in lanthanide concentrate (LC) and water leach purification (WLP) residue collected from LAMP and to evaluate the potential radiological impacts of the WLP residue on the environment. Instrumental Neutron Activation Analysis and γ-spectrometry were used for determination of Th, U and rare earth elements concentrations. The results of this study found that the concentration of Th in LC was 1289.7 ± 129 ppm (5274.9 ± 527.6Bq/kg) whereas the Th and U concentrations in WLP were determined to be 1952.9±17.6 ppm (7987.4 ± 71.9 Bq/kg) and 17.2 ± 2.4 ppm respectively. The concentrations of Th and U in LC and WLP samples determined by γ- spectrometry were 1156 ppm (4728 ± 22 Bq/kg) & 18.8 ppm and 1763.2 ppm (7211.4 Bq/kg) &29.97 ppm respectively. This study showed that thorium concentrations were higher in WLP compare to LC. This study also indicate that WLP residue has high radioactivity of 232Th compared to Malaysian soil natural background (63 - 110 Bq/kg) and come under preview of Act 304 and regulations. In LC, the Ce and Nd concentrations determined by INAA were 13.2 ± 0.6% and 4.7 ± 0.1% respectively whereas the concentrations of La, Ce, Nd and Sm in WLP were 0.36 ± 0.04%, 1.6%, 0.22% and 0.06% respectively. This result showed that some amount of rare earth had not been extracted and remained in the WLP and may be considered to be reextracted.

  4. Thorium, uranium and rare earth elements content in lanthanide concentrate (LC) and water leach purification (WLP) residue of Lynas advanced materials plant (LAMP)

    International Nuclear Information System (INIS)

    Lynas Advanced Materials Plant (LAMP) has been licensed to produce the rare earths elements since early 2013 in Malaysia. LAMP processes lanthanide concentrate (LC) to extract rare earth elements and subsequently produce large volumes of water leach purification (WLP) residue containing naturally occurring radioactive material (NORM). This residue has been rising up the environmental issue because it was suspected to accumulate thorium with significant activity concentration and has been classified as radioactive residue. The aim of this study is to determine Th-232, U-238 and rare earth elements in lanthanide concentrate (LC) and water leach purification (WLP) residue collected from LAMP and to evaluate the potential radiological impacts of the WLP residue on the environment. Instrumental Neutron Activation Analysis and γ-spectrometry were used for determination of Th, U and rare earth elements concentrations. The results of this study found that the concentration of Th in LC was 1289.7 ± 129 ppm (5274.9 ± 527.6Bq/kg) whereas the Th and U concentrations in WLP were determined to be 1952.9±17.6 ppm (7987.4 ± 71.9 Bq/kg) and 17.2 ± 2.4 ppm respectively. The concentrations of Th and U in LC and WLP samples determined by γ- spectrometry were 1156 ppm (4728 ± 22 Bq/kg) and 18.8 ppm and 1763.2 ppm (7211.4 Bq/kg) and 29.97 ppm respectively. This study showed that thorium concentrations were higher in WLP compare to LC. This study also indicate that WLP residue has high radioactivity of 232Th compared to Malaysian soil natural background (63 - 110 Bq/kg) and come under preview of Act 304 and regulations. In LC, the Ce and Nd concentrations determined by INAA were 13.2 ± 0.6% and 4.7 ± 0.1% respectively whereas the concentrations of La, Ce, Nd and Sm in WLP were 0.36 ± 0.04%, 1.6%, 0.22% and 0.06% respectively. This result showed that some amount of rare earth had not been extracted and remained in the WLP and may be considered to be reextracted

  5. Thorium, uranium and rare earth elements content in lanthanide concentrate (LC) and water leach purification (WLP) residue of Lynas advanced materials plant (LAMP)

    Energy Technology Data Exchange (ETDEWEB)

    AL-Areqi, Wadeeah M., E-mail: walareqi@yahoo.com; Majid, Amran Ab., E-mail: walareqi@yahoo.com; Sarmani, Sukiman, E-mail: walareqi@yahoo.com [Nuclear Science Programme, School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi (Malaysia)

    2014-02-12

    Lynas Advanced Materials Plant (LAMP) has been licensed to produce the rare earths elements since early 2013 in Malaysia. LAMP processes lanthanide concentrate (LC) to extract rare earth elements and subsequently produce large volumes of water leach purification (WLP) residue containing naturally occurring radioactive material (NORM). This residue has been rising up the environmental issue because it was suspected to accumulate thorium with significant activity concentration and has been classified as radioactive residue. The aim of this study is to determine Th-232, U-238 and rare earth elements in lanthanide concentrate (LC) and water leach purification (WLP) residue collected from LAMP and to evaluate the potential radiological impacts of the WLP residue on the environment. Instrumental Neutron Activation Analysis and γ-spectrometry were used for determination of Th, U and rare earth elements concentrations. The results of this study found that the concentration of Th in LC was 1289.7 ± 129 ppm (5274.9 ± 527.6Bq/kg) whereas the Th and U concentrations in WLP were determined to be 1952.9±17.6 ppm (7987.4 ± 71.9 Bq/kg) and 17.2 ± 2.4 ppm respectively. The concentrations of Th and U in LC and WLP samples determined by γ- spectrometry were 1156 ppm (4728 ± 22 Bq/kg) and 18.8 ppm and 1763.2 ppm (7211.4 Bq/kg) and 29.97 ppm respectively. This study showed that thorium concentrations were higher in WLP compare to LC. This study also indicate that WLP residue has high radioactivity of {sup 232}Th compared to Malaysian soil natural background (63 - 110 Bq/kg) and come under preview of Act 304 and regulations. In LC, the Ce and Nd concentrations determined by INAA were 13.2 ± 0.6% and 4.7 ± 0.1% respectively whereas the concentrations of La, Ce, Nd and Sm in WLP were 0.36 ± 0.04%, 1.6%, 0.22% and 0.06% respectively. This result showed that some amount of rare earth had not been extracted and remained in the WLP and may be considered to be reextracted.

  6. Synthesis and crystal structures of novel LaOAgS-type alkaline earth – Zinc, manganese, and cadmium fluoride pnictides

    Energy Technology Data Exchange (ETDEWEB)

    Charkin, Dmitri O., E-mail: charkin@inorg.chem.msu.ru; Urmanov, Arthur V.; Plokhikh, Igor V.; Korshunov, Alexander D.; Kuznetsov, Alexey N.; Kazakov, Sergey M.

    2014-02-05

    Highlights: • Sight new alkaline earth – Mn, Zn, Cd fluoride pnictides were prepared. • All new compounds adopt the LaOAgS structure type. • Bond distances in their structures are transferable within 2–3%. • Very close similarities are observed in structural chemistry of LaOAgS- and HfCuSi{sub 2}-type compounds of Mn, Cu, Zn, Ag, and Cd. -- Abstract: Systematic studies of the LaOAgS-type compounds among alkaline earth – Zn/Cd/Mn fluoride pnictides revealed the existence of new representatives SrFMnP, SrFMnAs, SrFMnSb, SrFZnAs, SrFZnSb, BaFZnAs, BaFCdP, and BaFCdAs. Similar to rare-earth oxide compounds and contrary to isolobal chalcogenides of Cu/Ag, not all possible compositions could be realized. No compound of the structure type is formed for calcium; strontium forms fluoride pnictides only with zinc and manganese, while for barium, new representatives are also formed with cadmium. This trend, which possibly has a geometrical origin, is corroborated by quantum chemical calculations. Formation of NdOZnP-type compounds also was not observed suggesting the structure to be characteristic only for rare earth – zinc oxide phosphides.

  7. Monte Carlo simulations of electron thermalization in alkali iodide and alkaline-earth fluoride scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Wang Zhiguo; Gao Fei; Kerisit, Sebastien [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Xie Yulong [Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Campbell, Luke W. [National Security Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)

    2012-07-01

    A Monte Carlo model of electron thermalization in inorganic scintillators, which was developed and applied to CsI in a previous publication [Wang et al., J. Appl. Phys. 110, 064903 (2011)], is extended to another material of the alkali halide class, NaI, and to two materials from the alkaline-earth halide class, CaF{sub 2} and BaF{sub 2}. This model includes electron scattering with both longitudinal optical (LO) and acoustic phonons as well as the effects of internal electric fields. For the four pure materials, a significant fraction of the electrons recombine with self-trapped holes and the thermalization distance distributions of the electrons that do not recombine peak between approximately 25 and 50 nm and extend up to a few hundreds of nanometers. The thermalization time distributions of CaF{sub 2}, BaF{sub 2}, NaI, and CsI extend to approximately 0.5, 1, 2, and 7 ps, respectively. The simulations show that the LO phonon energy is a key factor that affects the electron thermalization process. Indeed, the higher the LO phonon energy is, the shorter the thermalization time and distance are. The thermalization time and distance distributions show no dependence on the incident {gamma}-ray energy. The four materials also show different extents of electron-hole pair recombination due mostly to differences in their electron mean free paths (MFPs), LO phonon energies, initial densities of electron-hole pairs, and static dielectric constants. The effect of thallium doping is also investigated for CsI and NaI as these materials are often doped with activators. Comparison between CsI and NaI shows that both the larger size of Cs{sup +} relative to Na{sup +}, i.e., the greater atomic density of NaI, and the longer electron mean free path in NaI compared to CsI contribute to an increased probability for electron trapping at Tl sites in NaI versus CsI.

  8. Monte Carlo simulations of electron thermalization in alkali iodide and alkaline-earth fluoride scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhiguo; Xie, YuLong; Campbell, Luke W.; Gao, Fei; Kerisit, Sebastien N.

    2012-07-01

    A Monte Carlo model of electron thermalization in inorganic scintillators, which was developed and applied to CsI in a previous publication [Wang et al., J. Appl. Phys. 110, 064903 (2011)], is extended to another material of the alkali halide class, NaI, and to two materials from the alkaline-earth halide class, CaF2 and BaF2. This model includes electron scattering with both longitudinal optical (LO) and acoustic phonons as well as the effects of internal electric fields. For the four pure materials, a significant fraction of the electrons recombine with self-trapped holes and the thermalization distance distributions of the electrons that do not recombine peak between approximately 25 and 50 {per_thousand}nm and extend up to a few hundreds of nanometers. The thermalization time distributions of CaF2, BaF2, NaI, and CsI extend to approximately 0.5, 1, 2, and 7 ps, respectively. The simulations show that the LO phonon energy is a key factor that affects the electron thermalization process. Indeed, the higher the LO phonon energy is, the shorter the thermalization time and distance are. The thermalization time and distance distributions show no dependence on the incident {gamma}-ray energy. The four materials also show different extents of electron-hole pair recombination due mostly to differences in their electron mean free paths (MFPs), LO phonon energies, initial densities of electron-hole pairs, and static dielectric constants. The effect of thallium doping is also investigated for CsI and NaI as these materials are often doped with activators. Comparison between CsI and NaI shows that both the larger size of Cs+ relative to Na+, i.e., the greater atomic density of NaI, and the longer electron mean free path in NaI compared to CsI contribute to an increased probability for electron trapping at Tl sites in NaI versus CsI.

  9. Influence of doping with alkaline earth metals on the optical properties of thermochromic VO2

    Science.gov (United States)

    Dietrich, Marc K.; Kramm, Benedikt G.; Becker, Martin; Meyer, Bruno K.; Polity, Angelika; Klar, Peter J.

    2015-05-01

    Thin films of doped VO2 were deposited, analyzed, and optimized with regard to their solar energy transmittance (Tsol) and visible/luminous light transmittance (Tlum) which are important parameters in the context of smart window applications in buildings. The doping with alkaline earth metals (AEM) like Mg, Ca, Sr, or Ba increased both Tsol and Tlum due to a bandgap widening and an associated absorption edge blue-shift. Thereby, the brown-yellowish color impression of pure VO2 thin films, which is one major hindrance limiting the usage of VO2 as thermochromic window coating, was overcome. Transparent thin films with excellent switching behavior were prepared by sputtering. Highly doped V1-xMexO2 (Me = Ca, Sr, Ba) kept its excellent thermochromic switching behavior up to x(Me) = Me/(Me + V) = 10 at. % doping level, while the optical bandgap energy was increased from 1.64 eV for undoped VO2 to 2.38 eV for x(Mg) = 7.7 at. %, 1.85 eV for x(Ca) = 7.4 at. %, 1.84 eV for x(Sr) = 6.4 at. % and 1.70 eV for x(Ba) = 6.8 at. %, as well as the absorption edge is blue shifted by increasing AEM contents. Also, the critical temperature ϑc, at which the semiconductor-to-metal transition (SMT) occurs, was decreased by AEM doping, which amounted to about -0.5 K/at. % for all AEM on average. The critical temperature was determined by transmittance-temperature hysteresis measurements. Furthermore, Tsol and Tlum were calculated and were found to be significantly enhanced by AEM doping. Tlum increased from 32.0% in undoped VO2 to 43.4% in VO2 doped with 6.4 at. % Sr. Similar improvements were found for other AEM. The modulation of the solar energy transmittance ΔTsol, which is the difference of the Tsol values in the low and high temperature phase, was almost constant or even slightly increased when the doping level was increased up to about 10 at. % Ca, Sr, or Ba.

  10. Monte Carlo simulations of electron thermalization in alkali iodide and alkaline-earth fluoride scintillators

    International Nuclear Information System (INIS)

    A Monte Carlo model of electron thermalization in inorganic scintillators, which was developed and applied to CsI in a previous publication [Wang et al., J. Appl. Phys. 110, 064903 (2011)], is extended to another material of the alkali halide class, NaI, and to two materials from the alkaline-earth halide class, CaF2 and BaF2. This model includes electron scattering with both longitudinal optical (LO) and acoustic phonons as well as the effects of internal electric fields. For the four pure materials, a significant fraction of the electrons recombine with self-trapped holes and the thermalization distance distributions of the electrons that do not recombine peak between approximately 25 and 50 nm and extend up to a few hundreds of nanometers. The thermalization time distributions of CaF2, BaF2, NaI, and CsI extend to approximately 0.5, 1, 2, and 7 ps, respectively. The simulations show that the LO phonon energy is a key factor that affects the electron thermalization process. Indeed, the higher the LO phonon energy is, the shorter the thermalization time and distance are. The thermalization time and distance distributions show no dependence on the incident γ-ray energy. The four materials also show different extents of electron-hole pair recombination due mostly to differences in their electron mean free paths (MFPs), LO phonon energies, initial densities of electron-hole pairs, and static dielectric constants. The effect of thallium doping is also investigated for CsI and NaI as these materials are often doped with activators. Comparison between CsI and NaI shows that both the larger size of Cs+ relative to Na+, i.e., the greater atomic density of NaI, and the longer electron mean free path in NaI compared to CsI contribute to an increased probability for electron trapping at Tl sites in NaI versus CsI.

  11. Effect of mixed-ligand complex formation on the volatility of alkaline-earth element β-diketonates

    International Nuclear Information System (INIS)

    Some aspects of effect of heteroligand complexing on structure, thermal stability and volatility of β-diketonates of alkaline earth elements are considered using own and literature data. Radius of M2+ ion increases from 0.99 up to 1.34 A in the Ca-Sr-Ba row and strength and coordination numbers of forming associates increase. The strength of molecular associates decreases and volatility increases when degree of branching and degree of fluorination of alkyl radicals in β-diketonate ligands increase

  12. Effect of doping TiO2 with alkaline-earth metal ions on its photocatalytic activity

    Directory of Open Access Journals (Sweden)

    YUEXIANG LI

    2007-04-01

    Full Text Available TiO2 photocatalysts doped with alkaline-earth metal ions were prepared by the impregnation and coprecipitation methods. The sample were characterized by XRD, XPS and IR spectroscopy. Their activities were evaluated by the photocatalytic production of hydrogen. The activities of the doped photocatalysts dopended on the size of the dopant ions and the dopingmethod. The optimum molar contents of dopant ions Be2+, Mg2+, Ca2+, Sr2+, Ba2+ were 1.25, 1.25, 2.25, 2.25 and 2.25 at. %, respectively. The optimum calcination temperature and time were 400 °C and 1 h.

  13. Microcalorimetric study on host-guest complexation of naphtho-15-crown-5 with four ions of alkaline earth metal

    Institute of Scientific and Technical Information of China (English)

    SONG Ming-zhi; ZHU Lan-ying; GAO Xi-ke; DOU Jian-min; SUN De-zhi

    2005-01-01

    Thermodynamic parameters of complexation of naphto- 15-crown-5 with four alkaline earth ions in aqueous media was determined using titration microcalorimetry at 298.15 K. The stability of the complexes, thermal effect and entropy effect of the complexation is discussed on the basis of the guest ions structure and the solvent effect. The stability constants tendency to vary with ion radius was interpreted. Complex of naphtha-15-crown-5 with calcium ion is very stable due to the synergism of static electric interaction and size selectivity between the host and the guest.

  14. Preparation of decarboxylic-functionalized weak cation exchanger and application for simultaneous separation of alkali, alkaline earth and transition metals.

    Science.gov (United States)

    Peng, Yahui; Gan, Yihui; He, Chengxia; Yang, Bingcheng; Guo, Zhimou; Liang, Xinmiao

    2016-06-01

    A novel weak cation exchanger (WCX) with dicarboxyl groups functionalized has been developed by clicking mercaptosuccinic acid onto silica gel. The simple synthesis starts with modification of silica gel with triethoxyvinylsilane, followed by efficient coupling vinyl-bonded silica with mercaptosuccinic acid via a "thiol-ene" click reaction. The obtained WCX demonstrated good separation and high selectivity towards common metals. Simultaneous separation of 10 alkali, alkaline earth and transition metals was achieved within 12min. Ion exchange and complex mechanism dominates the separation process. Its utility was demonstrated for determination of metals in tap water. PMID:27130093

  15. Optical Feshbach resonances of Alkaline-Earth atoms in a 1D or 2D optical lattice

    OpenAIRE

    Naidon, Pascal; Julienne, Paul S.

    2006-01-01

    Motivated by a recent experiment by Zelevinsky et al. [Phys. Rev. Lett. 96, 203201], we present the theory for photoassociation and optical Feshbach resonances of atoms confined in a tight one-dimensional (1D) or two-dimensional (2D) optical lattice. In the case of an alkaline-earth intercombination resonance, the narrow natural width of the line makes it possible to observe clear manifestations of the dimensionality, as well as some sensitivity to the scattering length of the atoms. Among po...

  16. Novel alkaline earth copper germanates with ferro and antiferromagnetic S=1/2 chains

    International Nuclear Information System (INIS)

    Two new alkaline earth copper(II) germanates were hydrothermally synthesized: CaCuGeO4·H2O (1) and BaCu2Ge3O9·H2O (2), and their structures determined by single crystal X-ray diffraction. Compound (1) crystallizes in space group P21/c with a=5.1320(2) Å, b=16.1637(5) Å, c=5.4818(2) Å, β=102.609(2)°, V=443.76(3) Å3 and Z=4. This copper germanate contains layers of composition [CuGeO4]∞2− comprising CuO4 square planes and GeO4 tetrahedra with calcium and water molecules in the inter-layer space. Compound (2) crystallizes in the Cmcm space group with a=5.5593(3) Å, b=10.8606(9) Å, c=13.5409(8) Å, V=817.56(9) Å3 and Z=4. This structure contains GeO6 and CuO6 octahedra as well as GeO4 tetrahedra, forming a three-dimensional network of interconnecting six-membered ring channels. The magnetic susceptibility for both samples can be interpreted as S=1/2 chains, in agreement with the copper topology observed in the crystal structure. The susceptibility of (1) exhibits a Bonner–Fisher type behavior, resulting from antiferromagnetic intra-chain interactions without three-dimensional ordering down to 5 K—the lowest measured temperature. This observation, together with the absence of super-exchange paths between the copper chains, make this system particularly promising for the study of low dimensional magnetism. The magnetic properties of (2) show a very weak ferromagnetic near-neighbor interaction along the chain. In this compound a peak the χT plot seems to indicate the onset of interchain antiferromagentic correlations. However, no ordering temperature is detected in the susceptibility data. - Graphical abstract: Copper chains present in CaCuGeO4·H2O and BaCu2Ge3O9·H2O, two novel copper germanates synthesized hydrothermally, showing antiferromagnetic and ferromagnetic intra-chain interactions respectively. Highlights: ► The structure of two new chain containing copper germinates is reported. ► The calcium compound CaCuGeO4·H2O contains

  17. Three interesting coordination compounds based on metalloligand and alkaline-earth ions: Syntheses, structures, thermal behaviors and magnetic property

    Science.gov (United States)

    Zhou, Qiang; Qian, Jun; Zhang, Chi

    2016-09-01

    Based on metalloligand LCu ([Cu(2,4-pydca)2]2-, 2,4-pydca2- = pyridine-2,4-dicarboxylate) and alkaline-earth ions (Ca2+, Sr2+, and Ba2+), three interesting coordination compounds, [Ca(H2O)7][LCu·H2O]·H2O (1), {Sr[LCu·H2O]·4H2O}n (2), and {Ba[LCu·H2O]·8H2O}n (3), have been synthesized and well-characterized by elemental analysis, infrared spectroscopy, thermogravimetric and single-crystal X-ray diffraction analysis. X-ray crystallographic studies reveal that 1 features a discrete 0D coordination compound, while 2 and 3 exhibit the 2D network and 1D chain structures, respectively. Compound 2 is constructed from {LCu}2 dimers connected with {Sr2} units, which is fabricated by two Sr2+ ions bridged via two μ2-O bridges, while compound 3 is formed by 1D {Ba}n chain linked with metalloligands LCu and exhibits an interesting sandwich like chain structure. It is noted that the coordination numbers of alkaline-earth ions are in positive correlation with their radiuses. Moreover, the magnetic property of compound 2 has been studied.

  18. Study of conformational and acid-base properties of norbadione A and pulvinic derivatives: Consequences on their complexation properties of alkaline and alkaline earth cations

    International Nuclear Information System (INIS)

    This work deals with the study of norbadione A, a pigment extracted from mushrooms and known to complex cesium cations. The study of the acid-base properties of norbadione A has allowed to determine the relative acidity of the seven protonable functions of the molecule and to reveal a reversible isomerization of the double exocyclic bond of the pulvinic moieties. The observed change of configuration is induced by a hydrogen bond of the H-O-H type and by electrostatic interactions. Moreover, the microscopic protonation mechanism of the norbadione A has been analyzed, considering three different study media where the acid-base properties of the norbadione A are compared. In the presence of 0.15 mol.l-1 of NaCl, it has been observed a remarkable cooperativity in the protonation of the enol groups. At last, the use of different analytical methods (NMR, potentiometry and calorimetry) has allowed to study the complexing properties of the norbadione A towards cesium and other alkaline and rare earth cations. (O.M.)

  19. Isolation of radioactive strontium from natural samples. Separation of strontium from alkaline and alkaline earth elements by means of mixed solvent anion exchange

    International Nuclear Information System (INIS)

    This paper presents the results of studies which led to the procedures for the chromatographic separation of radioactive strontium from alkaline, earth-alkaline and other elements in natural samples, on columns filled with strong base anion exchangers using alcoholic solutions of nitric acid as eluents. It has been shown that potassium, caesium, calcium, barium, yttrium and strontium can be adsorbed on strong base anion exchangers of the Dowex and Amberlite type, which contain the quaternary ammonium group with nitrate as counter-ion, from solutions of nitric acid in alcohol. Adsorption strength increases in the order methanol 3 in methanol, while they are adsorbed from ethanol and propanol. The adsorption strength is influenced by the polarity of alcohol, by the concentration of nitrate and by pH. The strength with which strontium adsorbs on the exchangers increases in the interval from 0 to 0.25M NH4NO3 in methanol, after which it starts to decrease. Strontium adsorbs to the exchangers from the alcoholic solution of ammonium nitrate twice as strongly as from the alcoholic solution of nitric acid, while a fraction of water in pure alcohol exceeding 10% prevents adsorption. In the mixture of alcohol and nitric acid, the adsorption strength for calcium and strontium increases with the increase of the volume fraction of alcohol with a lower dielectric constant. The rate and strength of adsorption of ions on the exchanger also increase in the series 0.25M HNO3 in methanol 3 in ethanol 3 in 1-propanol for each individual ion, as well as in the Ca3 in methanol, 0.25M HNO3 in ethanol and 0.25M HNO3 in propanol. Separation is also possible from alcohol mixtures. Strontium separation is most difficult from calcium, while the efficiency of separation increases with a decrease of the polarity of the used alcohol or alcohol mixture. The first group elements of the periodic table are not separated from each other in this way, while the elements of the second group are

  20. Colorimetric and bare-eye detection of alkaline earth metal ions based on the aggregation of silver nanoparticles functionalized with thioglycolic acid

    International Nuclear Information System (INIS)

    We describe a simple and rapid method for colorimetric and bare-eye detection of the alkaline earth metal ions Mg(II), Ca(II), Sr(II) and Ba(II) based on the use of silver nanoparticles (AgNPs) functionalized with thioglycolic acid (TGA). The TGA ligand was self-assembled onto the AgNPs to form a probe that undergoes a color change from yellow to orange or red on exposure to the alkaline earth ions. It is presumed that the color change is a result of the aggregation of the AgNPs caused by the interaction of the bivalent ions with the carboxy groups on the AgNPs. The color change can be used for bare-eye and colorimetric determination of the alkaline earth metal ions, for example to rapidly determine water hardness. (author)

  1. Dispersion coefficients for the interaction of inert gas atoms with alkali and alkaline earth ions and alkali atoms with their singly ionized ions

    CERN Document Server

    Singh, Sukhjit; Sahoo, B K; Arora, Bindiya

    2016-01-01

    We report the dispersion coefficients for the interacting inert gas atoms with the alkali ions, alkaline earth ions and alkali atoms with their singly charged ions. We use our relativistic coupled-cluster method to determine dynamic dipole and quadrupole polarizabilities of the alkali atoms and singly ionized alkaline earth atoms, whereas a relativistic random phase approximation approach has been adopted to evaluate these quantities for the closed-shell configured inert gas atoms and the singly and doubly ionized alkali and alkaline earth atoms, respectively. Accuracies of these results are adjudged from the comparison of their static polarizability values with their respective experimental results. These polarizabilities are further compared with the other theoretical results. Reason for the improvement in the accuracies of our estimated dispersion coefficients than the data listed in [At. Data and Nucl. Data Tables 101, 58 (2015)] are discussed. Results for some of the atom-ion interacting systems were not...

  2. IUPAC-NIST Solubility Data Series. 100. Rare Earth Metal Fluorides in Water and Aqueous Systems. Part 3. Heavy Lanthanides (Gd–Lu)

    Energy Technology Data Exchange (ETDEWEB)

    Mioduski, Tomasz [Institute of Nuclear Chemistry and Technology, 03195 Warszawa (Poland); Gumiński, Cezary, E-mail: cegie@chem.uw.edu.pl [Department of Chemistry, University of Warsaw, 02093 Warszawa (Poland); Zeng, Dewen, E-mail: dewen-zeng@hotmail.com [College of Chemistry and Chemical Engineering, Central South University, Changsha 410083 (China)

    2015-06-15

    This is the third part of the volume devoted to solubility data for the rare earth metal (REM) fluorides in water and in aqueous ternary and multicomponent systems. It covers experimental results of trivalent fluorides of Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu (so-called heavy lanthanides), since no quantitative data on solubilities of TbF{sub 4} and YbF{sub 2} (the most stable compounds at these valencies) are available. The related literature has been covered through the end of 2014. Compilations of all available papers with the solubility data are introduced for each REM fluoride with a corresponding critical evaluation. Every such assessment contains a collection of all solubility results in aqueous solution, a selection of suggested solubility data, a solubility equation, and a brief discussion of the multicomponent systems. Only simple fluorides (no complexes or double salts) are treated as the input substances in this report. General features of the systems, such as nature of the equilibrium solid phases, solubility as a function of temperature, influence of ionic strength, solution pH, mixed solvent medium on the solubility, quality of the solubility results, and the solubility as a function of REM atomic number, have already been presented in Part 1 of the volume.

  3. Oxidation behavior of Cr(III) during thermal treatment of chromium hydroxide in the presence of alkali and alkaline earth metal chlorides.

    Science.gov (United States)

    Mao, Linqiang; Gao, Bingying; Deng, Ning; Liu, Lu; Cui, Hao

    2016-02-01

    The oxidation behavior of Cr(III) during the thermal treatment of chromium hydroxide in the presence of alkali and alkaline earth metal chlorides (NaCl, KCl, MgCl2, and CaCl2) was investigated. The amounts of Cr(III) oxidized at various temperatures and heating times were determined, and the Cr-containing species in the residues were characterized. During the transformation of chromium hydroxide to Cr2O3 at 300 °C approximately 5% of the Cr(III) was oxidized to form intermediate compounds containing Cr(VI) (i.e., CrO3), but these intermediates were reduced to Cr2O3 when the temperature was above 400 °C. Alkali and alkaline earth metals significantly promoted the oxidation of Cr(III) during the thermal drying process. Two pathways were involved in the influences the alkali and alkaline earth metals had on the formation of Cr(VI). In pathway I, the alkali and alkaline earth metals were found to act as electron transfer agents and to interfere with the dehydration process, causing more intermediate Cr(VI)-containing compounds (which were identified as being CrO3 and Cr5O12) to be formed. The reduction of intermediate compounds to Cr2O3 was also found to be hindered in pathway I. In pathway II, the alkali and alkaline earth metals were found to contribute to the oxidation of Cr(III) to form chromates. The results showed that the presence of alkali and alkaline earth metals significantly increases the degree to which Cr(III) is oxidized during the thermal drying of chromium-containing sludge. PMID:26650573

  4. Relativistic energy levels and oscillator strengths for the ns(n-1)d 1D-ns21S transitions of the alkaline earth atoms

    International Nuclear Information System (INIS)

    A fully relativistic Dirac-Fock method with Breit and QED corrections has been employed to study energy levels and oscillator strengths for the ns(n-1)d 1D-ns21S transitions of the alkaline earth atoms. In calculation, the authors consider significant Breit and QED corrections, the results are in good agreements with recent experimental data and other theoretical values. The results show that it is feasible to obtain the highly Rybderg states of the alkaline earth atoms, especially the autoionization states, by use of quadrupole transitions as an intermediate resonance

  5. Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    The van der Waals coefficients, C6, C8, and C10 for the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are estimated by a combination of ab initio and semiempirical methods. Polarizabilities and atom-wall coefficients are given as a diagnostic check, and the lowest order nonadiabatic dispersion coefficient, D8 and the three-body coefficient, C9 are also presented. The dispersion coefficients are in agreement with the available relativistic many-body perturbation theory calculations. The contribution from the core was included by using constrained sum rules involving the core polarizability and Hartree-Fock expectation values to estimate the f-value distribution

  6. Dispersion coefficients for H and He interactions with alkali-metal and alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    The van der Waals coefficients C6, C8, and C10 for H and He interactions with the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are determined from oscillator strength sum rules. The oscillator strengths were computed using a combination of ab initio and semiempirical methods. The dispersion parameters generally agree with close to exact variational calculations for Li-H and Li-He at the 0.1% level of accuracy. For larger systems, there is agreement with relativistic many-body perturbation theory estimates of C6 at the 1% level. These validations for selected systems attest to the reliability of the present dispersion parameters. About half the present parameters lie within the recommended bounds of the Standard and Certain compilation [J. Chem. Phys. 83, 3002 (1985)

  7. Main group chemistry of 9-hydroxophenalenone: Syntheses and structural characterization of the alkaline earth and zinc complexes

    Indian Academy of Sciences (India)

    Arup Mukherjee; Prinson P Samuel; Carola Schulzke; Swadhin K Mandal

    2014-09-01

    Herein, we report the synthesis and characterization of 9-hydroxophenalenone based alkaline earth and zinc complexes.The reaction of 9-hydroxophenalenone (HO,O-PLY (1)) with one equivalent of KN(SiMe3)2 and MI2 in THF yields heteroleptic complexes [(O,O-PLY)M(THF)]I [M= Mg (2), Ca (3), Sr (4), Ba (5); n = 1-4], while use of two equivalents of KN(SiMe3)2 in THF (with respect to PLY) produces homoleptic complex (O,O-PLY)2Mg(THF)2 (6). Moreover, reaction between two equivalents of 1 with one equivalent of ZnMe2 in THF produces complex (O,O-PLY)2Zn(THF)2 (7). All these complexes were characterized by NMR spectroscopy and elemental analyses. The solid state structures of complexes 2, 6 and 7 were established by single crystal X-ray diffraction analysis.

  8. Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite for methanol synthesis

    Science.gov (United States)

    Tierney, John W.; Wender, Irving; Palekar, Vishwesh M.

    1993-01-01

    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  9. Quantum mechanical study of molecular collisions at ultra-low energy: applications to alkali and alkaline-earth systems

    International Nuclear Information System (INIS)

    In order to investigate the collisional processes which occur during the formation of molecular Bose-Einstein condensates, a time-independent quantum mechanical formalism, based on hyperspherical coordinates, has been applied to the study of atom-diatom dynamics at ultra-low energies. We present theoretical results for three alkali systems, each composed of lithium, sodium or potassium atoms, and for an alkaline-earth system composed of calcium atoms. We also study dynamics at large and positive atom-atom scattering length. Evidence for the suppression of inelastic processes in a fermionic system is given, as well as a linear relation between the atom-diatom scattering length and the atom-atom scattering length. (author)

  10. Electric dipole polarizabilities of doubly ionized alkaline Earth metal ions from perturbed relativistic coupled-cluster theory

    CERN Document Server

    Chattopadhyay, S; Angom, D

    2013-01-01

    Using perturbed relativistic coupled-cluster (PRCC) theory we compute the ground state electric dipole polarizability, $\\alpha$, of doubly ionized alkaline earth metal ions $\\rm{Mg}^{2+}$, $\\rm{Ca}^{2+}$, $\\rm{Sr}^{2+}$, $\\rm{Ba}^{2+}$ and $\\rm{Ra}^{2+}$. In the present work we use the Dirac-Coulomb-Breit atomic Hamiltonian and we also include the Uehling potential, which is the leading order term in the vacuum polarization corrections. We examine the correction to the orbital energies arising from the Uehling potential in the self-consistent field calculations as well as perturbatively. Our results of $\\alpha$ are in very good agreement with the experimental data, and we observe a change in the nature of the orbital energy corrections arising from the vacuum polarization as we go from $\\rm{Mg}^{2+}$ to Ra$^{2+}$.

  11. Frontier Orbital Engineering of Metal-Organic Frameworks with Extended Inorganic Connectivity: Porous Alkaline-Earth Oxides.

    Science.gov (United States)

    Hendon, Christopher H; Walsh, Aron; Dincă, Mircea

    2016-08-01

    The development of conductive metal-organic frameworks is challenging owing to poor electronic communication between metal clusters and the organic ligands that bridge them. One route to overcoming this bottleneck is to extend the inorganic dimensionality, while using the organic components to provide chemical functionality. Using density functional theory methods, we demonstrate how the properties of the alkaline-earth oxides SrO and BaO are transformed upon formation of porous solids with organic oxygen sources (acetate and trifluoroacetate). The electron affinity is significantly enhanced in the hybrid materials, while the ionization potential can be tuned over a large range with the polarity of the organic moiety. Furthermore, because of their high-vacuum fraction, these materials have dielectric properties suitable for low-κ applications. PMID:27267149

  12. Two-band superfluidity and intrinsic Josephson effect in alkaline-earth-metal Fermi gases across an orbital Feshbach resonance

    Science.gov (United States)

    Iskin, M.

    2016-07-01

    We first show that the many-body Hamiltonian governing the physical properties of an alkaline-earth 173Yb Fermi gas across the recently realized orbital Feshbach resonance is exactly analogous to that of two-band s -wave superconductors with contact interactions; i.e., even though the free-particle bands have a tunable energy offset in between and are coupled by a Josephson-type attractive interband pair scattering, the intraband interactions have exactly the same strength. We then introduce two intraband order parameters within the BCS mean-field approximation and investigate the competition between their in-phase and out-of-phase (i.e., the so-called π -phase) solutions in the entire BCS-BEC evolution at zero temperature.

  13. Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials

    Directory of Open Access Journals (Sweden)

    David Parker and David J Singh

    2013-01-01

    Full Text Available We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli—roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature.

  14. Rare earth elements and titanium in plants, soils and groundwaters in the alkaline-ultramafic complex of Salitre, MG Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Ceccantini, G. [Instituto de Biociencias, Sao Paulo, (Brazil). Dept. de Botanica; Figueiredo, A.M.G. [Instituto de Pesquisas Energeticas e Nucleares (IPEN), Sao Paulo, SP (Brazil). Div. de Radioquimica; Sondag, F.; Soubies, F. [ORSTOM, 93 - Bondy (France); Soubies, F. [Universite Paul Sabatier, 31 - Toulouse (France)

    1997-12-31

    The contents of rare earth elements (REE) and titanium in various plant species, in groundwaters and in soils from the alkaline-ultramafic complex of Salitre, have been determined. Due to the the particular mineralogy of the bedrock, REE and Ti exhibit high concentrations in the soils. Despite this, plants generally present REE concentrations within the ranges usually found in plants, and the transfer factor from soil to plant is at least ten times below the range reported in the literature, confirming that the concentrations of REE in the plants are widely independent of the soil content. All species present normalized patterns similar to those of the soils, characterized by an enrichment in light REE. Several plants show Ti concentrations about three times higher than the reference values. It is suggested that in the studied ecosystem, the plant metabolism affect the REE distribution in the groundwaters, leading to an enrichment of the superficial waters in heavy REE

  15. Optical Feshbach resonances of Alkaline-Earth atoms in a 1D or 2D optical lattice

    CERN Document Server

    Naidon, P; Julienne, Paul S.; Naidon, Pascal

    2006-01-01

    Motivated by a recent experiment by Zelevinsky et al. [Phys. Rev. Lett. 96, 203201], we present the theory for photoassociation and optical Feshbach resonances of atoms confined in a tight one-dimensional (1D) or two-dimensional (2D) optical lattice. In the case of an alkaline-earth intercombination resonance, the narrow natural width of the line makes it possible to observe clear manifestations of the dimensionality, as well as some sensitivity to the scattering length of the atoms. Among possible applications, a 2D lattice may be used to increase the spectroscopic resolution by about one order of magnitude. Furthermore, a 1D lattice induces a shift which provides a new way of determining the strength of a resonance by spectroscopic measurements.

  16. Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction

    DEFF Research Database (Denmark)

    Escribano, Maria Escudero; Malacrida, Paolo; Hansen, Martin Hangaard;

    2016-01-01

    The high platinum loadings required to compensate for the slow kinetics of the oxygen reduction reaction (ORR) impede the widespread uptake of low-temperature fuel cells in automotive vehicles. We have studied the ORR on eight platinum (Pt)–lanthanide and Pt-alkaline earth electrodes, Pt5M, where M...... is lanthanum, cerium, samarium, gadolinium, terbium, dysprosium, thulium, or calcium. The materials are among the most active polycrystalline Pt-based catalysts reported, presenting activity enhancement by a factor of 3 to 6 over Pt. The active phase consists of a Pt overlayer formed by acid leaching....... The ORR activity versus the bulk lattice parameter follows a high peaked “volcano” relation. We demonstrate how the lanthanide contraction can be used to control strain effects and tune the activity, stability, and reactivity of these materials....

  17. Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction.

    Science.gov (United States)

    Escudero-Escribano, María; Malacrida, Paolo; Hansen, Martin H; Vej-Hansen, Ulrik G; Velázquez-Palenzuela, Amado; Tripkovic, Vladimir; Schiøtz, Jakob; Rossmeisl, Jan; Stephens, Ifan E L; Chorkendorff, Ib

    2016-04-01

    The high platinum loadings required to compensate for the slow kinetics of the oxygen reduction reaction (ORR) impede the widespread uptake of low-temperature fuel cells in automotive vehicles. We have studied the ORR on eight platinum (Pt)-lanthanide and Pt-alkaline earth electrodes, Pt5M, where M is lanthanum, cerium, samarium, gadolinium, terbium, dysprosium, thulium, or calcium. The materials are among the most active polycrystalline Pt-based catalysts reported, presenting activity enhancement by a factor of 3 to 6 over Pt. The active phase consists of a Pt overlayer formed by acid leaching. The ORR activity versus the bulk lattice parameter follows a high peaked "volcano" relation. We demonstrate how the lanthanide contraction can be used to control strain effects and tune the activity, stability, and reactivity of these materials. PMID:27034369

  18. Structural, electronic and mechanical properties of alkaline earth metal oxides MO (M=Be, Mg, Ca, Sr, Ba)

    Science.gov (United States)

    Cinthia, A. Jemmy; Priyanga, G. Sudha; Rajeswarapalanichamy, R.; Iyakutti, K.

    2015-04-01

    The structural, electronic and mechanical properties of alkaline earth metal oxides MO (M=Be, Mg, Ca, Sr, Ba) in the cubic (B1, B2 and B3) phases and in the wurtzite (B4) phase are investigated using density functional theory calculations as implemented in VASP code. The lattice constants, cohesive energy, bulk modulus, band structures and the density of states are computed. The calculated lattice parameters are in good agreement with the experimental and the other available theoretical results. Electronic structure reveals that all the five alkaline earth metal oxides exhibit semiconducting behavior at zero pressure. The estimated band gaps for the stable wurtzite phase of BeO is 7.2 eV and for the stable cubic NaCl phases of MgO, CaO, SrO and BaO are 4.436 eV, 4.166 eV, 4.013 eV, and 2.274 eV respectively. A pressure induced structural phase transition occurs from wurtzite (B4) to NaCl (B1) phase in BeO at 112.1 GPa and from NaCl (B1) to CsCl (B2) phase in MgO at 514.9 GPa, in CaO at 61.3 GPa, in SrO at 42 GPa and in BaO at 14.5 GPa. The elastic constants are computed at zero and elevated pressures for the B4 and B1 phases for BeO and for the B1 and B2 phases in the case of the other oxides in order to investigate their mechanical stability, anisotropy and hardness. The sound velocities and the Debye temperatures are calculated for all the oxides using the computed elastic constants.

  19. Enhanced NH3 gas sensing performance based on electrospun alkaline-earth metals composited SnO2 nanofibers

    International Nuclear Information System (INIS)

    Highlights: • The small-sized SnO2 (5–7 nm) were obtained by adding the alkaline-earth. • Sr-composited SnO2 nanofibers showed uniform nanotubes structure (Sr/SnO2). • Sr/SnO2 showed an excellent sensing performance to NH3 at room temperature. - Abstract: One-dimensional alkaline-earth metals composited SnO2 (Ae/SnO2) nanofibres were fabricated via electrospinning technique, followed by thermal treatment at 600 °C for 5 h. Transmission electron microscopy (TEM) studies showed that the nanoparticles size of Ae/SnO2 was 5–7 nm, which was smaller than the pristine SnO2 nanorods attached by 20 nm nanoparticles. Moreover, Sr/SnO2 nanocomposites showed uniform nanotubes structure with the wall thickness of about 30 nm, in which all the nanoparticles were connected to their neighbors by necks. The Sr/SnO2 nanotubes exhibited an excellent sensing response toward NH3 gas at room temperature, lower detection limit (10 ppm), faster response time (6 s towards 2000 ppm∼16 s towards 10 ppm) and better reversibility compared to the pristine SnO2 nanorods. The enhanced sensor performances were attributed to the higher conductivity of the Sr/SnO2. Mott–Schottky plots (M–S) and electrochemical impedance spectroscopy (EIS) measurements indicated that the carrier density of Sr/SnO2 nanotubes was 3 fold of that pristine SnO2

  20. Characterization of alkaline-earth oxide additions to the MnO2 cathode in an aqueous secondary battery

    International Nuclear Information System (INIS)

    Highlights: → Adding MgO in MnO2 cathode enhances the battery discharge capacity. → Mechanism appears to be different with those of our previously published results. → Capacity fade with subsequent cycling is reduced only for MgO but not for BaO. → Transferred the primary battery into a secondary while using LiOH as electrolyte. - Abstract: The effect of alkaline-earth oxide additions on aqueous rechargeable battery is investigated using microscopic and spectroscopic techniques. The alkaline-earth oxide additions such as magnesium oxide (MgO) and barium oxide (BaO) were physically mixed to the manganese dioxide (MnO2) cathode of a cell comprising zinc as an anode and aqueous lithium hydroxide as the electrolyte. The results showed that such additions greatly improved the discharge capacity of the battery (from 145 to 195 for MgO and 265 mAh/g for BaO). Capacity fade with subsequent cycling is reduced only for MgO but not for BaO. With an aim to understand the role of these additives and its improvement in cell performance, we have used microscopy, spectroscopy, ion beam analysis and diffraction based techniques to study the process. Transmission electron microscopy (TEM), and energy dispersive X-ray spectroscopy analysis (EDS) results showed evidence of crystalline MnO2 particles for MgO as additive, whereas, MnO2 particles with diffused structure leading to mixture of phases is observed for BaO additives which is in agreement with X-ray diffraction (XRD) data. This work relates to improvement in the electrochemical behaviour of the Zn-MnO2 battery while the MgO additive helps to reduce the formation of manganese and zinc such as hetaerolite that hinders the lithium intercalation.

  1. Tuning magnetic properties of CrS{sub 2} monolayer by doping transition metal and alkaline-earth atoms

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jianmin; Zheng, Huiling; Han, Ruilin; Du, Xiaobo; Yan, Yu, E-mail: yanyu@jlu.edu.cn

    2015-10-25

    In view of important role of inducing the magnetism in semiconducting transition metal dichalcogenides monolayer, the influences of a series of transition metal and alkaline-earth dopants, including Ca, Sc, Ti, V, Mn, Fe, Co, Ni, Cu, Zn, Ga, Sr, Y, Zr, Nb, Mo, Ru, Rh, Pd, Ag, Cd and In, on the electronic and magnetic properties of semiconducting CrS{sub 2} monolayer are systematically investigated using first-principles calculations. The calculations show that Nb, Mo, Ru and Rh dopants cannot induce the magnetism in doped CrS{sub 2} monolayer, whereas ground states of Ca, Sc, Ti, Mn, Fe, Co, Ni, Cu, Zn, Ga, Sr, Y, Zr, Pd, Ag, Cd and In-doped system are magnetic and the stability of magnetic state of V doped system is small. Furthermore the value and the distribution of the magnetic moment induced by dopant not only relate to the number of valence electrons and the occupancy of the d orbitals of dopant, but also depend on the hybridization between dopant and its neighboring S and Cr atoms. Note that it is found that the substitutional doping at the Cr site of CrS{sub 2} monolayer with numerous transition metal and alkaline-earth atoms should be possible under the Cr-poor growth conditions. Overall, the calculated results show high potential for inducing the magnetism in CrS{sub 2} monolayer by doping at the Cr site. - Highlights: • The doping at the Cr site should be possible under the Cr-poor growth conditions. • Ca, Sc, Ti, Mn, Fe, Co, Ni, Cu, Zn, Ga, Sr, Y, Zr, Pd, Ag, Cd and In dopants produce magnetism. • Ca, Sc, Ti, V, Zn, Ga, Sr, Y, Zr, Nb, Cd and In dopants result in p-type doping. • Mn, Fe, Co, Ni, Cu, Ru, Rh, Pd and Ag dopants lead to n-type doping.

  2. Sm3+-doped alkaline earth borate glasses as UV→visible photon conversion layer for solar cells

    International Nuclear Information System (INIS)

    Intense multi-peak red fluorescence emissions of Sm3+ are exhibited in alkaline-earth borate (LKZBSB) glasses under UV radiation. The spontaneous emission probabilities Arad corresponding to the 4G5/2→6HJ (J=5/2, 7/2, 9/2 and 11/2) transitions are derived to be 24.74, 129.72, 117.03 and 32.23 s−1, respectively, and the relevant stimulated emission cross-sections σem are 0.77×10−22, 4.46×10−22, 5.05×10−22 and 1.38×10−22 cm2, confirming the effectiveness of red luminescence in Sm3+-doped LKZBSB glasses. Quantitative characterization through the evaluation of absolute spectral parameters reveals that the quantum yield of Sm3+-doped LKZBSB glasses is as high as 13.29%. Furthermore, with the introduction of Ce3+, the effective excitation wavelength range and the emission intensity of Sm3+ in LKZBSB glasses are remarkably expanded and improved by a maximum sensitization factor of 9.02 in the UVB region. These results demonstrate that the present glass system has promising potential as an efficient UV→visible photon conversion layer for the enhancement of solar cell efficiency, including appealing applications in outer space. - Highlights: • Intense multi-peak red fluorescence emissions of Sm3+ are exhibited under UV radiation. • Effectiveness of red luminescence is confirmed by stimulated emission cross-sections. • Quantum yield of Sm3+-doped LKZBSB glasses is 13.29% by quantitative characterization. • Effective excitation wavelength range and emission intensity are improved with Ce3+ doping. • Alkaline-earth borate glass has potential as solar cell UV→Vis photon conversion layer

  3. Influence of alkali and alkaline earth elements on the uptake of radionuclides by Pleurototus eryngii fruit bodies

    Energy Technology Data Exchange (ETDEWEB)

    Guillen, J., E-mail: fguillen@unex.es [LARUEX, Dpt. Applied Physics, Faculty of Veterinary Science, University of Extremadura, Avda. Universidad, s/n, 10071 Caceres (Spain); Baeza, A.; Salas, A. [LARUEX, Dpt. Applied Physics, Faculty of Veterinary Science, University of Extremadura, Avda. Universidad, s/n, 10071 Caceres (Spain)

    2012-04-15

    In the literature, there are many data available on radionuclide contents and their transfer to different species of mushrooms. There are some variables, however, which affect the transfer but are very difficult to observe in collected wild mushrooms. An example is the effect of different concentrations of alkali and alkaline earth elements in the soil. Modification of these concentrations in the soil solution has traditionally been used as a countermeasure to deal with radioactively contaminated areas. In the present work, fruiting bodies of Pleurotus eryngii, a saprophytic mushroom, were grown under controlled laboratory conditions, varying the content of alkali (potassium and caesium) and alkaline earth (calcium and strontium) elements. The transfer of {sup 134}Cs, {sup 85}Sr, and {sup 60}Co (added to the cultures) and of natural {sup 210}Pb was analysed by increasing the content of each stable element considered. A significant, but nonlinear, enhancement of stable caesium and {sup 134}Cs was observed with increasing content of stable caesium in the substrate/mycelium. The transfer of {sup 85}Sr decreased with the addition of each stable cation, whereas the {sup 60}Co and {sup 210}Pb transfers were unaffected. - Highlights: Black-Right-Pointing-Pointer The addition of stable potassium did not affect the uptake of radiocaesium. Black-Right-Pointing-Pointer The addition of stable caesium increased the stable caesium and {sup 134}Cs content in the fruiting bodies of Pleurotus eryngii. Black-Right-Pointing-Pointer The addition of calcium reduced the content of calcium and {sup 85}Sr in the fruiting bodies. Black-Right-Pointing-Pointer These countermeasures did not work properly in the case of {sup 60}Co and {sup 210}Pb, no effect was observed.

  4. Preliminary investigations on picoplankton-related precipitation of alkaline-earth metal carbonates in meso-oligotrophic lake Geneva (Switzerland

    Directory of Open Access Journals (Sweden)

    Jean-Michel Jaquet

    2013-10-01

    Full Text Available In the course of a routine water-quality survey in meso-oligotrophic lake Geneva (Switzerland, suspended matter was collected by filtration on 0.2 μm membranes in July and August 2012 at the depth of maximal chlorophyll a (Chl a concentration (2 mg m–3. Examination by scanning electron microscopy revealed the presence of numerous dark and gelatinous patches occluding the pores of the membranes, containing high numbers of picoplanktonic cells and, in places, clusters of high-reflectance smooth microspheres (1-2 μm in diameter. Their chemical composition, determined by semi-quantitative, energy-dispersive X ray spectroscopy (EDS showed magnesium (Mg, calcium (Ca, strontium (Sr and barium (Ba (alkaline earth metals to be the dominant cations. Among the anions, phosphorus (P and carbon (C were present, but only the latter is considered here (as carbonate. The microspheres were subdivided into four types represented in a Ca-Sr-Ba ternary space. All types are confined within a domain bound by Ca>45, Sr<10 and Ba<50 (in mole %. Type I, the most frequent, displays a broad variability in Ba/Ca, even within a given cluster. Types II and III are devoid of Ba, but may incorporate P. Type IV contains only Ca. The Type I composition resembles that of benstonite, a Group IIA carbonate that was recently found as intracellular granules in a cyanobacterium from alkaline lake Alchichica (Mexico.Lake Geneva microspheres are solid, featureless and embedded in a mucilage-looking substance in the vicinity of, but seemingly not inside, picoplanktonic cells morphologically similar to Chlorella and Synechococcus. In summer 2012, the macroscopic physico-chemical conditions in lake Geneva epilimnion were such as to allow precipitation of Ca but not of Sr and Ba carbonates. Favourable conditions did exist, though, in the micro-environment provided by the combination of active picoplankton and a mucilaginous envelope. Further studies are ongoing to investigate the

  5. Effects of alternating current imposition and alkaline earth elements on modification of primary Mg_2Si crystals in hypereutectic Mg-Si alloy

    Institute of Scientific and Technical Information of China (English)

    DU Jun; K. IWAI; LI Wen-fang; PENG Ji-hua

    2009-01-01

    The effects of alternating current imposition and/or alkaline earth elements on modification of the primary Mg_2Si crystals in the hypereutectic Mg-Si alloy were investigated. An alternating current of 60 A with frequency of 1 kHz was applied into the hypereutectic Mg-Si melt which was alloyed with alkaline earth elements or not in the fixed temperature range from 700 to 630 ℃. The results show that the primary Mg_2Si crystals could be refined by imposing alternating current or adding alkaline elements. Compared with the samples treated by adding 0.4% Ca or 0.4% Sr, higher modification efficiency could be obtained for the samples treated by imposing alternating current. No further modification efficiency could be obtained for the samples treated by imposing alternating current combined with 0.4% Ca or 0.4% Sr addition.

  6. Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions.

    Science.gov (United States)

    Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya

    2016-03-14

    Mononuclear and dinuclear aluminum-dipyrrin complexes (ALDIPYs) were synthesized as a new family of ionophores. They exhibited colorimetric and fluorometric responses to alkaline earth ions in an aqueous mixed solvent. The strong recognition was achieved via multipoint interactions with the oxygen atoms appropriately incorporated into the ligand framework. PMID:26935409

  7. Solvent Extraction of Alkaline Earth Metals with Alkylphosphorus Acids%有机磷(膦)酸对碱土金属的萃取

    Institute of Scientific and Technical Information of China (English)

    许新; 朱屯

    2002-01-01

    Solvent extraction equilibria of four main alkaline earth metals (magnesium, calcium, strontium and barium) with di(2-ethylhexyl) phosphoric acid (DEHPA), 2-ethylhexyl phosphonic acid mono-(2-ethylhexyl) ester,di(2,4,4-tri-methylpentyl) phosphinic acid and IR spectra of the extracts have been studied. The selectivity order is dependent on the e/r value and hydration energy of the metal ions. The minor shift of the P-O in IR absorption of the alkaline earth metal extracts indicates that the interaction between the metal ions and P-O is much weaker for alkaline earth metals than for transitional metals. The distribution of the four alkaline earth elements between aqueous solutions and solutions of DEHPA and neutral organophosphorus compounds, tri-n-butyl phosphate (TBP) or tri-octyl phosphine oxide (TOPO) in kerosene have been determined at varying ratio of TBP or TOPO to DEHPA and the positive synergism is observed. The synergic effect is explained by using IR spectra of the loaded organic phase.

  8. Theoretical Studies of the Spin Hamiltonian Parameters and Local Distortions for Cu2+ in Alkaline Earth Lead Zinc Phosphate Glasses

    Science.gov (United States)

    Wang, Bo-Kun; Wu, Shao-Yi; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian; Teng, Bao-Hua; Wu, Ming-He

    2016-08-01

    The spin Hamiltonian parameters and local structures are theoretically studied for Cu2+-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d9 cluster. The relative elongation ratios are found to be ρ≈3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu2+-O2- electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Ba

  9. Theoretical Studies of the Spin Hamiltonian Parameters and Local Distortions for Cu2+ in Alkaline Earth Lead Zinc Phosphate Glasses

    Science.gov (United States)

    Wang, Bo-Kun; Wu, Shao-Yi; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian; Teng, Bao-Hua; Wu, Ming-He

    2016-08-01

    The spin Hamiltonian parameters and local structures are theoretically studied for Cu2+-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d9 cluster. The relative elongation ratios are found to be ρ≈3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu2+-O2- electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Bacontaining copper dopants.

  10. Design of a novel optically stimulated luminescent dosimeter using alkaline earth sulfides doped with SrS:Eu,Sm materials

    Institute of Scientific and Technical Information of China (English)

    Yanping Liu; Zhaoyang Chen; Yanwei Fan; Weizhen Ba; Wu Lu; Qi Guo; Shilie Pan; Aimin Chang; Xinqiang Tang

    2008-01-01

    Optically stimulated luminescence (OSL) is the luminescence emitted from an irradiated insulator or semiconductor during exposure to light.The OSL intensity is a function of the dose of radiation absorbed by the sample and thus can be used as the basis of a radiation dosimetry method.Alkaline earth sulfides doped with rare-earth elements such as Ce,Sm and Eu are OSL dosimeters having very high sensitivity,and the OSL with a short time constant is separated from the stimulated light.In this paper,a novel OSL dosimeter designed with SrS:Eu,Sm materials is described.The dosimeter takes advantage of the characteristics of charge trapping materials SrS:Eu,Sm that exhibit OSL.The measuring range of the dosimeter is from 0.01 to 100Gy.The equipment,which is relatively simple and small in size,is promising for applications in space exploration and high dose radiation dosimetry.

  11. Structural diversity in binuclear complexes of alkaline earth metal ions with 4,6-diacetylresorcinol

    Science.gov (United States)

    Shebl, Magdy; Khalil, Saied M. E.; Taha, A.; Mahdi, M. A. N.

    2012-11-01

    A new series of binuclear and mixed-ligand complexes with the general formula: [M 2(LO)yClz]; where M = Mg(II), Ca(II), Sr(II) and Ba(II); H2L = 4,6-diacetylresorcinol, the secondary ligand L' = acetylacetone (acac), 8-hydroxyquinoline (8-HQ) or 2,2'-bipyridyl (Bipy), n = 0-2, m = 1, 2, x = 0, 1, 2, 4, y = 0, 2, 4, 5 and z = 0-2; have been synthesized. They have been characterized by the analytical and spectral methods (IR, 1H NMR and mass) as well as TGA and molar conductivity measurements. The spectroscopic and conductance data suggested that the H2L ligand behaves as a neutral, monobasic or dibasic tetradentate ligand, depending on the basicity of the secondary ligand, through the two phenolic and two carbonyl groups. Binuclear octahedral geometry has been assigned to all of the prepared complexes in various molar ratios 2:2; 2:2:2; 1:2:1 and 1:2:4 (L:M:L'). Molecular orbital calculations were performed for the ligands and their complexes using Hyperchem 7.52 program on the bases of PM3 level and the results were correlated with the experimental data. The ligand and some of its alkaline metal(II) complexes showed antibacterial activity towards some of Gram-positive and Gram-negative bacteria, yeast (Candida albicans) and fungus (Aspergillus fumigatus).

  12. Thermochemical study of gaseous oxy salts. Communication 11. Alkaline earth metal titanates

    International Nuclear Information System (INIS)

    Partial pressures of vapor components over systems MO-TiO2 (M = Be, Ca, Sr, Ba) were determined by the method of high-temperature mass spectrometry in the temperature range of ∼ 2180-2470 K and gas-phase equilibrium of reactions involving rare earth metal titanates were studied. For BeTiO3 and SrTiO3 molecules the standard formation and atomization enthalpies were determined, which at 298 K were -763 ± 22 and 2309 ± 23 kJ/mol, -868 ± 27 and 2249 ± 28 kJ/mol respectively

  13. Modelling the liquid-liquid extraction of nitric acid and lanthanide nitrates by tributylphosphate. Study of the influence of the aqueous phase composition on the selectivity of rare earth separation

    International Nuclear Information System (INIS)

    This research thesis reports the application of advances in the modelling of liquid-liquid extraction to a quantitative processing of the selectivity of separations. It is here applied to the extraction-based separation of lanthanide nitrates by using the tributylphosphate (TBP) in nitric environment as this system is interesting for industrial applications in hydro-metallurgy of rare earths as well as in the processing of irradiated nuclear fuels. Experimental data are acquired and then used in the Mikulin-Sergievskii-Dannus model. Complete modelling is thus obtained which allowed the complex problem of extraction of nitric acid and of lanthanide to be addressed, and the existence of a hybrid solvate to be supported. A mathematical expression of the separation factor of two lanthanides is proposed and used to highlight its influencing parameters, i.e. water activity in the aqueous phase, and the rate of the effective extraction constants of the two elements to be separated. Experimental observations are thus interpreted. The selection of optimal separation conditions is thus justified, and, in some cases, the system selectivity can be predicted

  14. Sm{sup 3+}-doped alkaline earth borate glasses as UV→visible photon conversion layer for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Shen, L.F. [School of Textile and Material Engineering, Dalian Polytechnic University, Dalian 116034 (China); Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China); Chen, B.J.; Pun, E.Y.B. [Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China); Lin, H., E-mail: lhai8686@yahoo.com [School of Textile and Material Engineering, Dalian Polytechnic University, Dalian 116034 (China); Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

    2015-04-15

    Intense multi-peak red fluorescence emissions of Sm{sup 3+} are exhibited in alkaline-earth borate (LKZBSB) glasses under UV radiation. The spontaneous emission probabilities A{sub rad} corresponding to the {sup 4}G{sub 5/2}→{sup 6}H{sub J} (J=5/2, 7/2, 9/2 and 11/2) transitions are derived to be 24.74, 129.72, 117.03 and 32.23 s{sup −1}, respectively, and the relevant stimulated emission cross-sections σ{sub em} are 0.77×10{sup −22}, 4.46×10{sup −22}, 5.05×10{sup −22} and 1.38×10{sup −22} cm{sup 2}, confirming the effectiveness of red luminescence in Sm{sup 3+}-doped LKZBSB glasses. Quantitative characterization through the evaluation of absolute spectral parameters reveals that the quantum yield of Sm{sup 3+}-doped LKZBSB glasses is as high as 13.29%. Furthermore, with the introduction of Ce{sup 3+}, the effective excitation wavelength range and the emission intensity of Sm{sup 3+} in LKZBSB glasses are remarkably expanded and improved by a maximum sensitization factor of 9.02 in the UVB region. These results demonstrate that the present glass system has promising potential as an efficient UV→visible photon conversion layer for the enhancement of solar cell efficiency, including appealing applications in outer space. - Highlights: • Intense multi-peak red fluorescence emissions of Sm{sup 3+} are exhibited under UV radiation. • Effectiveness of red luminescence is confirmed by stimulated emission cross-sections. • Quantum yield of Sm{sup 3+}-doped LKZBSB glasses is 13.29% by quantitative characterization. • Effective excitation wavelength range and emission intensity are improved with Ce{sup 3+} doping. • Alkaline-earth borate glass has potential as solar cell UV→Vis photon conversion layer.

  15. Caracterización de nitratos alcalinos y alcalinoterreos por espectroscopia vibracional Characterization of alkali-metal and alkaline-earth nitrates by vibrational spectroscopy

    OpenAIRE

    Martínez, S; Acción, F.; Puertas, F.

    1992-01-01

    [EN] Infrared spectra of sodium and potassium alkaline-metal nitrates and magnesium and calcium alkali-earth nitrates in solid phase had been recorded in order to assign the fundamental bands. The influence of the dispersal médium (alkaline halide), employed in the solid sample preparation have been discussed. The quantitative measurements of the band in ten sities at 1.387 cm~^ (present in the I.R. spectra of the four nitrates in KBr médium) allowed us to determine th...

  16. Dark-state suppression and optimization of laser cooling and fluorescence in a trapped alkaline-earth-metal single ion

    CERN Document Server

    Lindvall, T; Tittonen, I; Madej, A A; 10.1103/PhysRevA.86.033403

    2012-01-01

    We study the formation and destabilization of dark states in a single trapped 88Sr+ ion caused by the cooling and repumping laser fields required for Doppler cooling and fluorescence detection of the ion. By numerically solving the time-dependent density matrix equations for the eight-level system consisting of the sublevels of the 5s 2S1/2, 5p 2P1/2, and 4d 2D3/2 states, we analyze the different types of dark states and how to prevent them in order to maximize the scattering rate, which is crucial for both the cooling and the detection of the ion. The influence of the laser linewidths and ion motion on the scattering rate and the dark resonances is studied. The calculations are then compared with experimental results obtained with an endcap ion trap system located at the National Research Council of Canada and found to be in good agreement. The results are applicable also to other alkaline earth ions and isotopes without hyperfine structure.

  17. Surface effect on the electronic and the magnetic properties of rock-salt alkaline-earth metal silicides

    International Nuclear Information System (INIS)

    An all electron ab-initio method was employed to study the electronic and the magnetic properties of the (001) surface of alkaline-earth metal silicides, CaSi, SrSi, and BaSi, in the rock-salt structure. The three compounds retain their ferromagnetic metallic properties at the surface. Due to the surface effects, the magnetism of the topmost layer is changed as compared with the bulk. This is a short-range effect. In CaSi, the magnetism of the surface layer is noticeably reduced, as compared with the bulk: magnetic moments (MMs) on both Ca and Si atoms are reduced. In SrSi (001), the polarization of electrons in the surface atoms is similar to that in the bulk atoms, and the values of MMs on the component atoms in the topmost layer do not change as much as in CaSi. In BaSi (001), the magnetic properties of Si surface atoms are enhanced slightly, and the magnetism of Ba atoms is not affected considerably by the surface effect. The calculated densities of states confirm the short-range effect of the surface on the electronic properties of the metal silicides.

  18. A Density Functional Theory Study of Codoping Characteristics of Sulfur with Alkaline Earth in Delafossite CuAlO2

    Science.gov (United States)

    Qi-Jun, Liu; Han, Qin; Zheng-Tang, Liu

    2016-04-01

    The structural, electronic properties and formation energies of sulfur and alkaline earth codoped delafossite CuAlO2 have been investigated using the first-principles density functional theory calculations. Our results reveal that the volume of codoping systems increases with the increasing atomic radius of metal atoms. The formation energies under different growth conditions have been calculated, showing that the codoping systems are formed easily under O-rich growth conditions. Electronic band structures and density of states have been obtained. The decreased bandgaps, enhanced covalence and appearance of electron acceptors after codoping are all good for p-type conductivity. Supported by the National Natural Science Foundation of China under Grant Nos. 11347199, 51402244, and 11547311, the Specialized Research Fund for Doctoral Program of Higher Education of China under Grant No. 20130184120028, the Fundamental Research Fund for the Central Universities, China under Grant Nos. 2682014CX084, 2682014ZT30, and 2682014ZT31, and the fund of the State Key Laboratory of Solidification Processing in NWPU under Grant No. SKLSP201511

  19. Transfer of alkaline earth elements in mothers' milk and doses from 45Ca, 90Sr and 226Ra

    International Nuclear Information System (INIS)

    An international programme of work is currently under way to develop methods for calculating doses to infants from ingestion of radionuclides present in mothers' milk. This paper considers the special case of the alkaline earth elements. Models have been developed for 45Ca, 90Sr and 226Ra and the sensitivity of results to various changes in parameter values is discussed. A complication when calculating doses from intakes of radium is that the International Commission on Radiological Protection has previously recommended that doses from decay products of radium should be calculated using element-specific biokinetic models (so-called independent biokinetics). An extension of this method to the models for breastfeeding is proposed. Preliminary estimates of the doses received by the infant for a number of maternal intake scenarios show that doses to the infant can exceed the corresponding adult dose, such as for 45Ca (ratio = 3.1) while, in other cases such as 90Sr, the infant dose can be a significant fraction of the adult dose. (author)

  20. Photocytotoxic lanthanide complexes

    Indian Academy of Sciences (India)

    Akhtar Hussain; Akhil R Chakravarty

    2012-11-01

    Lanthanide complexes have recently received considerable attention in the field of therapeutic and diagnostic medicines. Among many applications of lanthanides, gadolinium complexes are used as magnetic resonance imaging (MRI) contrast agents in clinical radiology and luminescent lanthanides for bioanalysis, imaging and sensing. The chemistry of photoactive lanthanide complexes showing biological applications is of recent origin. Photodynamic therapy (PDT) is a non-invasive treatment modality of cancer using a photosensitizer drug and light. This review primarily focuses on different aspects of the chemistry of lanthanide complexes showing photoactivated DNA cleavage activity and cytotoxicity in cancer cells. Macrocyclic texaphyrin-lanthanide complexes are known to show photocytotoxicity with the PDT effect in near-IR light. Very recently, non-macrocyclic lanthanide complexes are reported to show photocytotoxicity in cancer cells. Attempts have been made in this perspective article to review and highlight the photocytotoxic behaviour of various lanthanide complexes for their potential photochemotherapeutic applications.

  1. The electronic structure of lanthanide doped compounds with 3d, 4d, 5d, or 6d conduction band states

    Energy Technology Data Exchange (ETDEWEB)

    Dorenbos, Pieter, E-mail: p.dorenbos@tudelft.nl

    2014-07-01

    The chemical shift model of electronic binding energies will be applied to the lanthanides in T O{sub 2} and MT O{sub 3} compounds where T is the cation Ti{sup 4+}, Zr{sup 4+}, Ce{sup 4+}, Hf{sup 4+}, or Th{sup 4+} and M is the alkaline earth cation Ba{sup 2+}, Sr{sup 2+}, or Ca{sup 2+}. As input, data from lanthanide spectroscopy will be used to generate the binding energies of electrons in all lanthanide impurity states and in the valence band and conduction band states of the host compound. In these compounds the bottom of the conduction band has a strong nd-orbital character (n=3, 4, 5, and 6 for titanates, zirconates, hafnates, and thorates, respectively). Electronic structure diagrams are determined that show the valence band and conduction band energy together with all lanthanide impurity level energies relative to the vacuum level. They reveal clear trends when n increases that has profound consequences for the lanthanide luminescence properties. - Highlights: • Electronic level schemes with all divalent and all trivalent lanthanide impurity states in titanate, zirconate, hafnate, and thorate compounds are presented. • Level schemes can be compared with each other with respect to a common energy reference, i.e., the energy of an electron at rest in vacuum. • It is found that the conduction band energy systematically increases when its character changes from 3d, to 4d, to 5d, to 6d-orbital type.

  2. Synthetic rubbers prepared by lanthanide coordination catalysts

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    China is rich in rare earth resources. Rare earth elements, also named lanthanides, are number 58 to number 81 elements in the elemental periodic table. They have unique electronic structures and may form various coordination compounds. In the early 1960s, researchers at the Changchun Institute of Applied Chemistry, Chinese Academy of Sciences (CIAC) found the catalytic activities of lanthanide compounds in stereospecific polymerization of conjugated dienes, and published the first paper on this topic in 1964. On the basis of this finding, CIAC launched extensive research activities on lanthanide compounds as diene polymerization catalysts, from a series of fundamental research to the efforts of industrializing the rare earth catalyzed cis-1,4-polybutatine rubber and cis-1,4-polyisoprene rubber. This review aims to summarize the progress in this field in the past half century.

  3. 1H and 23Na MAS NMR spectroscopy of cationic species in CO2 selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    Science.gov (United States)

    Arévalo-Hidalgo, Ana G.; Dugar, Sneha; Fu, Riqiang; Hernández-Maldonado, Arturo J.

    2012-07-01

    The location of extraframework cations in Sr2+ and Ba2+ ion-exchanged SAPO-34 was estimated by means of 1H and 23Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO2 adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium.

  4. Synthesis, characterization and solubility of alkaline earth uranyl carbonates M2[UO2(CO3)3].xH20; M: Mg, Ca, Sr, Ba

    International Nuclear Information System (INIS)

    The release and dispersion of uranium from closed uranium mining sites and the resulting uranium contamination of the natural environment of such sites is a major problem examined in this dissertation. Knowledge of the pollution pathways and processes is indispensable for an assessment of the radiological implications for the human population, to be taken into account in the planning of site rehabilitation work. The formation of secondary uranium minerals may contribute to an immobilization of the uranium, but it is possible as well that such secondary uranium minerals will release uranium. A major task of this dissertation therefore was to examine the conditions of formation of alkaline earth uranyl carbonates in the context of their natural occurrence as observed at some sites, and to answer the question of whether hitherto unknown alkaline earth uranyl carbonates may form in the natural environment, and ought to be taken into account as new source terms. (orig./CB)

  5. THEORETICAL-ANALYSIS OF THE O(1S) BINDING-ENERGY SHIFTS IN ALKALINE-EARTH OXIDES - CHEMICAL OR ELECTROSTATIC CONTRIBUTIONS

    NARCIS (Netherlands)

    PACCHIONI, G; BAGUS, PS

    1994-01-01

    We report results from ab initio cluster-model calculations on the O(1s) binding energy (BE) in the alkaline-earth oxides, MgO, CaO, SrO, and BaO; all these oxides have a cubic lattice structure. We have obtained values for both the initial- and final-state BE's. A simple point-charge model, where a

  6. Validation of ion chromatography for the determination of transition metal ions along with alkali, alkaline earth metal elements for uranium oxide fuel

    International Nuclear Information System (INIS)

    The present report describes the use of Ion chromatography (IC) methods with spectrophotometric and direct conductivity detection for the determination of transition metal elements and alkali alkaline earth metal ions in UO2 pellets. Transmet analytical column and Metrosep- cation 1-2 column were used for the separation of transition metal elements and alkali and alkaline earth metal elements respectively. Oxalic acid and mixture of pyridine 2,6-dicarboxylic acid (PDCA), Na2SO4 and NaCl were used as mobile phase for the separation of transition metal ions and monitored after post - column reaction with 4,2-pyridylazo resorcinol (PAR) at 520nm spectrophotometrically. In the determination of alkali and alkaline earth metal ions the interference of transition metals are removed by complexing them with PDCA. Mixture of tartaric acid and PDCA employed in the separation of alkali and alkaline earth metal ions and monitored on direct conductivity detector. Mobile phase composition was optimised for the base line separation. Calibration plots of Fe3+, Cu2+, Ni2+, Co2+, Cd2+, Mn2+, Li+, Na+, K+, Mg2+, Ca2+ and Sr2+ were linear over a wide dynamic range with regression coefficient better than 0.999. Detection limit of above ions were between 5-30ppb. To prevent the overloading of the cation exchange column, uranium matrix was removed from UO2 sample by solvent extraction with 30% TBP - TOPO/CCl4. Ten sintered UO2 pellets of same lot were analysed and R.S.D. ±10% was obtained. These methods were validated by analysis of ILCE standards of UO2. (author)

  7. Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals

    OpenAIRE

    Liu, Yuanyue; Merinov, Boris V.; Goddard III, William A.

    2016-01-01

    It is well known that graphite has a low capacity for Na but a high capacity for other alkali metals. The growing interest in alternative cation batteries beyond Li makes it particularly important to elucidate the origin of this behavior, which is not well understood. In examining this question, we find a quite general phenomenon: among the alkali and alkaline earth metals, Na and Mg generally have the weakest chemical binding to a given substrate, compared with the other elements in the same...

  8. Solubility of alkaline earth metal oxides in CsCl-KCl-NaCl eutectic mixture melt at 600 degC

    International Nuclear Information System (INIS)

    Products of solubility of alkaline-earth metal oxides in the melt of eutectic mixture CsCl-KCl-NaCl at 600 deg C were determined by the method of potentiometric titration. It is found that CaO and SrO under experimental conditions dissociate incompletely, while BaO is utterly dissociated: solubility of the oxides increases in the series MgO-CaO-SrO-BaO

  9. Band structure and electrical properties of MBE grown HfO{sub 2} - based alkaline earth Perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Peter, Dudek; Grzegorz, Lupina; Grzegorz, Kozlowski; Jarek, Dabrowski; Gunther, Lippert; Hans-Joachim, Muessig; Thomas, Schroeder [IHP-Microelectronics, Frankfurt, Oder (Germany); Dieter, Schmeisser [BTU, Cottbus (Germany)

    2010-07-01

    Ultra thin dielectric films (<20 nm) deposited on TiN electrodes are interesting for MIM capacitor application. High capacitance density and dielectric permittivity must be accompanied by extremely low leakage currents (10{sup -8} A/cm{sup 2}) at bias 0.5 V. To achieve such low leakage currents, high band gap and proper band alignment is required. Occupied electronic states can be probed with standard laboratory photoemission methods. Probing of unoccupied states is more challenging. Synchrotron based PES in combination with XAS forms a powerful method to study the band alignment. ASAM end station located at the U 49/2 PGM 2 beamline of BESSY II (Berlin) offers excellent conditions for performing such measurements. We investigated HfO{sub 2} - based alkaline earth perovskite - BaHfO{sub 3} with subsequent admixture of TiO{sub 2}, resulting in formation of BaHf{sub 0.5}Ti{sub 0.5}O{sub 3} compound. The analysis of data indicates that band gap for HfO{sub 2} is similar to BaHfO{sub 3} and amounts 5.8 eV; for BaHf{sub 0.5}Ti{sub 0.5}O{sub 3} it decreases to 3.8 eV. We conclude that the addition of TiO{sub 2} to BaHfO{sub 3} increases significantly the dielectric permittivity but also impacts the band gap alignment. The conduction band offset shrinks, influencing the leakage current behavior.

  10. Synthesis of monomeric and polymeric alkali and alkaline earth metal complexes using a phosphinoselenoic amide ligand in metal coordination sphere

    Indian Academy of Sciences (India)

    Jayeeta Bhattacharjee; Ravi K Kottalanka; Harinath Adimulam; Tarun K Panda

    2014-09-01

    We report the monomeric complexes of magnesium and calcium of composition [M(THF){2-Ph2P(Se)N(CMe3)}2] [M= Mg (3), n = 1 andM = Ca (4), n = 2)] and polymeric complexes of potassium and barium of composition [K(THF)2{Ph2P(Se)N(CMe3)}] (2) and [K(THF)Ba{Ph2P(Se)N(CMe3)}3](5) respectively. The potassium complex 2 was readily prepared by the reaction of potassium bis(trimethylsilyl)amide with phosphinoselenoic amide ligand (1) at ambient temperature. The calcium complex 4 was prepared by two synthetic routes: in the first method, commonly known as salt metathesis reaction, the potassium complex 2 was made to react with alkaline earth metal diiodide at room temperature to afford the corresponding calcium complex. The metal bis(trimethylsilyl)amides were made to react with protic ligand 1 in the second method to eliminate the volatile bis(trimethyl)silyl amine. The magnesium complex 3 and barium complex 5 were prepared only through the first method. Solid-state structures of all the new complexes were established by single crystal X-ray diffraction analysis. The smaller ionic radii of Mg2+ (0.72Å) and Ca2+ (0.99Å) ions form the monomeric complex, whereas the larger ions K+ (1.38Å) and Ba2+ (1.35Å) were found to form onedimensional polymeric complexes with monoanionic ligand 1. Compound 2 serves an example of magnesium complex with a Mg-Se direct bond.

  11. Photoelectron Experiments and Studies of X-Ray Absorption Near Edge Structure in Alkaline-Earth and Rare - Fluorides.

    Science.gov (United States)

    Gao, Yuan

    Alkaline-earth fluorides and rare-earth trifluorides possess technological importance for applications in multi -layer electronic device structures and opto-electronic devices. Interfaces between thin films of YbF _3 and Si(111) substrates were studied by photoelectron spectroscopy and x-ray absorption spectroscopy using synchrotron radiation. Results of YbF_3 /Si(111) were compared with those of TmF _3/Si(111). While electrons in the Si valence band are prevented from occupying the empty 4f levels in TmF_3 at the interface by the on -site Coulomb repulsion energy, the charge transfer from Si to YbF_3 is possible because the totally filled 4f states in Yb still lie below the Si valence band maximum. The theory of x-ray absorption near edge structure (XANES) is incomplete except for a few particularly simple special cases. A Bragg reflection model was developed to qualitatively explain the oscillations in XANES, in terms of the scattering of the photoelectron wave between families of lattice planes as set out by the Bragg condition for backscattering. The model was found to represent the data for systems with nearly free electron like conduction bands reasonably well. High resolution CaF_2 fluorine K edge XANES was used as a prototype to understand XANES in more depth on systems with strong core hole effects. Unlike previous work which involved multiple scattering cluster calculations that include only short range order effects, both the long range order and the symmetry breaking core holes are included in a new bandstructure approach in which the core hole is treated with a supercell technique. A first principles calculation with the use of pseudopotentials successfully reproduced all the main features of the first 15 eV of the fluorine K edge in CaF_2 which had not been explained with the cluster calculations. A comparison of the theoretical and experimental fluorine K edges in CaF_2 and BaF _2 was used to identify the structure related features. The possibility

  12. Lanthanide--humic substances complexation. II. Calibration of humic ion-binding model V.

    Science.gov (United States)

    Sonke, Jeroen E

    2006-12-15

    The experimental complexation of the lanthanides (Sc, Y, and rare earth elements) with Suwannee river fulvic acid, Leonardite coal humic acid, and Elliot soil humic acid is described with Humic Ion-Binding Model V. The fitted intrinsic equilibrium constants for metal-proton exchange, pKMHA, for Eu3+ are similar to previously published experimental fits, and linear free energy relationship (LFER) estimated values. The experimentally observed lanthanide contraction effect in REE-humic complex stability is reflected in the gradual decrease in pKMHA from La to Lu. In Model V, a decrease in pKMHA from La to Lu indicates an increase in complex stability. Fitted pKMHA values for heavy REE are lower than those estimated by LFERs. Consequently, REE fractionation by humic substances complexation could be more pronounced than previously thought. Recommended pKMHA values for lanthanide-fulvic and -humic acid complexation are derived by superimposing the fitted trends in pKMHA for all REE, i.e., the decrease in pKMHA from La to Lu, on the average Eu pKMHA value for all literature datasets. These results will allow modeling assessments of organic matter induced REE fractionation in aquatic environments, taking into account changes in pH, ionic strength, and ion competition. A simulation of dissolved REE speciation in an average world river suggests that organic matter outcompetes carbonate complexation, even under alkaline conditions. PMID:17256484

  13. Structures and Spectroscopy Studies of Two M(II-Phosphonate Coordination Polymers Based on Alkaline Earth Metals (M = Ba, Mg

    Directory of Open Access Journals (Sweden)

    Kui-Rong Ma

    2013-01-01

    Full Text Available The two examples of alkaline-earth M(II-phosphonate coordination polymers, [Ba2(L(H2O9]·3H2O (1 and [Mg1.5(H2O9]·(L-H21.5·6H2O (2 (H4L = H2O3PCH2N(C4H8NCH2PO3H2, N,N′-piperazinebis(methylenephosphonic acid, (L-H2 = O3PH2CHN(C4H8NHCH2PO3 have been hydrothermally synthesized and characterized by elemental analysis, FT-IR, PXRD, TG-DSC, and single-crystal X-ray diffraction. Compound 1 possesses a 2D inorganic-organic alternate arrangement layer structure built from 1D inorganic chains through the piperazine bridge, in which the ligand L−4 shows two types of coordination modes reported rarely at the same time. In 1, both crystallographic distinct Ba(1 and Ba(2 ions adopt 8-coordination two caps and 9-coordination three caps triangular prism geometry structures, respectively. Compound 2 possesses a zero-dimensional mononuclear structure with two crystallographic distinct Mg(II ions. Free metal cations   [MgO6]n2+ and uncoordinated anions (L-H2n2- are joined together by static electric force. Results of photoluminescent measurement indicate three main emission bands centered at 300 nm, 378.5 nm, and 433 nm for 1 and 302 nm, 378 nm, and 434.5 nm for 2 (λex=235 nm, respectively. The high energy emissions could be derived from the intraligand π∗-n transition stations of H4L (310 nm and 382 nm, λex=235 nm, while the low energy emission (>400 nm of 1-2 may be due to the coordination effect with metal(II ions.

  14. 1H and 23Na MAS NMR spectroscopy of cationic species in CO2 selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    International Nuclear Information System (INIS)

    The location of extraframework cations in Sr2+ and Ba2+ ion-exchanged SAPO-34 was estimated by means of 1H and 23Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO2 adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium. - Graphical abstract: MAS NMR was used to elucidate the position the cationic species in alkaline earth metal exchanged silicoaluminophosphates. These species played a significant role during the ion exchange process and, therefore, the materials ultimate CO2 adsorption performance. Highlights: ► Location of extraframework Sr2+ or Ba2+ cations was estimated by means of 1H and 23Na MAS NMR. ► Level of Sr2+ or Ba2+ ion exchange was limited by the presence of protons and sodium cations. ► Presence of ammonium cations in the supercages facilitated the exchange. ► Sr2+ and Ba2+ ion exchanged SAPOs are outstanding CO2 adsorbents.

  15. An {\\it ab initio} relativistic coupled-cluster theory of dipole and quadrupole polarizabilities: Applications to a few alkali atoms and alkaline earth ions

    CERN Document Server

    Sahoo, B K

    2006-01-01

    We present a general approach within the relativistic coupled-cluster theory framework to calculate exactly the first order wave functions due to any rank perturbation operators. Using this method, we calculate the static dipole and quadrupole polarizabilities in some alkali atoms and alkaline earth-metal ions. This may be a good test of the present theory for different rank and parity interaction operators. This shows a wide range of applications including precise calculations of both parity and CP violating amplitudes due to rank zero and rank one weak interaction Hamiltonians. We also give contributions from correlation effects and discuss them in terms of lower order many-body perturbation theory.

  16. Ionization Energies of Lanthanides

    Science.gov (United States)

    Lang, Peter F.; Smith, Barry C.

    2010-01-01

    This article describes how data are used to analyze the pattern of ionization energies of the lanthanide elements. Different observed pathways of ionization between different ground states are discussed, and the effects of pairing, exchange, and orbital interactions on ionization energies of the lanthanides are evaluated. When all the above…

  17. Lanthanide porphyrin complexes

    International Nuclear Information System (INIS)

    The review summarizes literature data and results of the author's research on the synthesis, properties and possible fields of practical application of lanthanide porphyrin complexes. Emphasis is given to the application of luminescence properties of lanthanide derivatives in medicine. The bibliography includes 108 references.

  18. Enhanced Electroresponse of Alkaline Earth Metal-Doped Silica/Titania Spheres by Synergetic Effect of Dispersion Stability and Dielectric Property.

    Science.gov (United States)

    Yoon, Chang-Min; Lee, Seungae; Cheong, Oug Jae; Jang, Jyongsik

    2015-09-01

    A series of alkaline earth metal-doped hollow SiO2/TiO2 spheres (EM-HST) are prepared as electrorheological (ER) materials via sonication-mediated etching method with various alkaline earth metal hydroxides as the etchant. The EM-HST spheres are assessed to determine how their hollow interior and metal-doping affects the ER activity. Both the dispersion stability and the dielectric properties of these materials are greatly enhanced by the proposed one-step etching method, which results in significant enhancement of ER activity. These improvements are attributed to increased particle mobility and interfacial polarization originating from the hollow nature of the EM-HST spheres and the effects of EM metal-doping. In particular, Ca-HST-based ER fluid exhibits ER performance which is 7.1-fold and 3.1-fold higher than those of nonhollow core/shell silica/titania (CS/ST) and undoped hollow silica/titania (HST)-based ER fluids, respectively. This study develops a versatile and simple approach to enhancing ER activity through synergetic effects arising from the combination of dispersion stability and the unique dielectric properties of hollow EM-HST spheres. In addition, the multigram scale production described in this experiment can be an excellent advantage for practical and commercial ER application. PMID:26266695

  19. Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals

    Science.gov (United States)

    Liu, Yuanyue; Merinov, Boris V.; Goddard, William A., III

    2016-04-01

    It is well known that graphite has a low capacity for Na but a high capacity for other alkali metals. The growing interest in alternative cation batteries beyond Li makes it particularly important to elucidate the origin of this behavior, which is not well understood. In examining this question, we find a quite general phenomenon: among the alkali and alkaline earth metals, Na and Mg generally have the weakest chemical binding to a given substrate, compared with the other elements in the same column of the periodic table. We demonstrate this with quantum mechanics calculations for a wide range of substrate materials (not limited to C) covering a variety of structures and chemical compositions. The phenomenon arises from the competition between trends in the ionization energy and the ion-substrate coupling, down the columns of the periodic table. Consequently, the cathodic voltage for Na and Mg is expected to be lower than those for other metals in the same column. This generality provides a basis for analyzing the binding of alkali and alkaline earth metal atoms over a broad range of systems.

  20. MB82- (M=Be,Mg,Ca,Sr,and Ba):Planar octacoordinate alkaline earth metal atoms enclosed by boron rings

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Complexes involving planar octacoordinate alkaline earth metal atoms in the centers of eight-membered boron rings have been investigated by two density functional theory (DFT) methods.BeB82-with D8h symmetry is predicted to be stable,both geometrically and electronically,since a good match is achieved between the size of the central beryllium atom and the eight-membered boron ring.By contrast,the other alkaline earth metal atoms cannot be stabilized in the center of a planar eight-membered boron ring because of their large radii.By following the out-of-plane imaginary vibrational frequency,pyramidal C8v MgB82-,CaB82-,SrB82-,and BaB82-structures are obtained.The presence of delocalized π and σ valence molecular orbitals in D8h BeB82-gives rise to aromaticity,which is reflected by the value of the nucleus-independent chemical shift.The D8h BeB82-structure is confirmed to be the global minimum on the potential energy surface.

  1. Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals.

    Science.gov (United States)

    Liu, Yuanyue; Merinov, Boris V; Goddard, William A

    2016-04-01

    It is well known that graphite has a low capacity for Na but a high capacity for other alkali metals. The growing interest in alternative cation batteries beyond Li makes it particularly important to elucidate the origin of this behavior, which is not well understood. In examining this question, we find a quite general phenomenon: among the alkali and alkaline earth metals, Na and Mg generally have the weakest chemical binding to a given substrate, compared with the other elements in the same column of the periodic table. We demonstrate this with quantum mechanics calculations for a wide range of substrate materials (not limited to C) covering a variety of structures and chemical compositions. The phenomenon arises from the competition between trends in the ionization energy and the ion-substrate coupling, down the columns of the periodic table. Consequently, the cathodic voltage for Na and Mg is expected to be lower than those for other metals in the same column. This generality provides a basis for analyzing the binding of alkali and alkaline earth metal atoms over a broad range of systems. PMID:27001855

  2. Syntheses, Vibrational Spectroscopy, and Crystal Structure Determination from X-Ray Powder Diffraction Data of Alkaline Earth Dicyanamides M[N(CN)

    Energy Technology Data Exchange (ETDEWEB)

    Juergens, Barbara; Irran, Elisabeth; Schnick, Wolfgang

    2001-03-01

    The alkaline earth dicyanamides Mg[N(CN){sub 2}]{sub 2}, Ca[N(CN){sub 2}]{sub 2}, Sr[N(CN){sub 2}]{sub 2}, and Ba[N(CN){sub 2}]{sub 2} were synthesized by ion exchange using Na[N(CN){sub 2}] and the respective nitrates or bromides as starting materials. The crystal structures were determined from X-ray powder diffractometry: Mg[N(CN){sub 2}]{sub 2}, Pnnm, Z=2, a=617.14(3), b=716.97(3), and c=740.35(5) pm; Ca[N(CN){sub 2}]{sub 2} and Sr[N(CN){sub 2}]{sub 2}, C2/c, Z=4; Ca[N(CN){sub 2}]{sub 2}, a=1244.55(3), b=607.97(1), and c=789.81(1) pm, {beta}=98.864(2){degree}; Sr[N(CN){sub 2}]{sub 2}, a=1279.63(2), b=624.756(8), and c=817.56(1) pm, {beta}=99.787(1){degree}; Ba[N(CN){sub 2}]{sub 2}, Pnma, Z=4, a=1368.68(7), b=429.07(7), and c=1226.26(2) pm. The dicyanamides consist of the respective alkaline earth cations and bent planar [N(CN){sub 2}]{sup -} ions. The structural features were correlated with vibrational spectroscopic data. The thermal behavior was studied by thermoanalytical experiments.

  3. Coordination and ion-ion interactions of chromium centers in alkaline earth zinc borate glasses probed by electron paramagnetic resonance and optical spectroscopy

    Science.gov (United States)

    Sumalatha, B.; Omkaram, I.; Rajavardana Rao, T.; Linga Raju, Ch

    2013-05-01

    Electron paramagnetic resonance (EPR), optical absorption and FT-IR studies have been carried out on chromium ions incorporated in alkaline earth zinc borate glasses. The EPR spectra exhibit two resonance signals with effective g values at g ≈ 1.99 and ≈1.97. The resonance signal at g ≈ 1.99 is attributed to the contribution from both the exchange coupled Cr3+-Cr3+ ion pairs and the isolated Cr3+ ions and the resonance signal at g ≈ 1.97 is due to Cr5+ ions. The paramagnetic susceptibility (χ) was calculated from the EPR data at various (123-303 K) temperatures and the Curie temperature (θp) was calculated from the 1/χ-T graph. The optical absorption spectra exhibit three bands at ˜360 nm, ˜440 nm and a broad band at ˜615 nm characteristic of Cr3+ ions in an octahedral symmetry. From the observed band positions, the crystal-field splitting parameter Dq and the Racah parameters (B and C) have been evaluated. From the ultraviolet edges, the optical band gap energies (Eopt) and Urbach energy (ΔE) are calculated. The theoretical optical basicity (Λth) of these glasses has also been evaluated. Chromium ions doped alkaline earth zinc borate glasses show BO3 and BO4 structural units in the FT-IR studies.

  4. Coordination and ion–ion interactions of chromium centers in alkaline earth zinc borate glasses probed by electron paramagnetic resonance and optical spectroscopy

    International Nuclear Information System (INIS)

    Electron paramagnetic resonance (EPR), optical absorption and FT-IR studies have been carried out on chromium ions incorporated in alkaline earth zinc borate glasses. The EPR spectra exhibit two resonance signals with effective g values at g ≈ 1.99 and ≈1.97. The resonance signal at g ≈ 1.99 is attributed to the contribution from both the exchange coupled Cr3+–Cr3+ ion pairs and the isolated Cr3+ ions and the resonance signal at g ≈ 1.97 is due to Cr5+ ions. The paramagnetic susceptibility (χ) was calculated from the EPR data at various (123–303 K) temperatures and the Curie temperature (θp) was calculated from the 1/χ–T graph. The optical absorption spectra exhibit three bands at ∼360 nm, ∼440 nm and a broad band at ∼615 nm characteristic of Cr3+ ions in an octahedral symmetry. From the observed band positions, the crystal-field splitting parameter Dq and the Racah parameters (B and C) have been evaluated. From the ultraviolet edges, the optical band gap energies (Eopt) and Urbach energy (ΔE) are calculated. The theoretical optical basicity (Λth) of these glasses has also been evaluated. Chromium ions doped alkaline earth zinc borate glasses show BO3 and BO4 structural units in the FT-IR studies. (paper)

  5. Effect of metal cation replacement on the electronic structure of metalorganic halide perovskites: Replacement of lead with alkaline-earth metals

    Science.gov (United States)

    Pazoki, Meysam; Jacobsson, T. Jesper; Hagfeldt, Anders; Boschloo, Gerrit; Edvinsson, Tomas

    2016-04-01

    Organic and inorganic lead halogen perovskites, and in particular, C H3N H3Pb I3 , have during the last years emerged as a class of highly efficient solar cell materials. Herein we introduce metalorganic halogen perovskite materials for energy-relevant applications based on alkaline-earth metals. Based on the classical notion of Goldschmidt's rules and quantum mechanical considerations, the three alkaline-earth metals, Ca, Sr, and Ba, are shown to be able to exchange lead in the perovskite structure. The three alkaline-earth perovskites, C H3N H3Ca I3,C H3N H3Sr I3 , and C H3N H3Ba I3 , as well as the reference compound, C H3N H3Pb I3 , are in this paper investigated with density functional theory (DFT) calculations, which predict these compounds to exist as stable perovskite materials, and their electronic properties are explored. A detailed analysis of the projected molecular orbital density of states and electronic band structure from DFT calculations were used for interpretation of the band-gap variations in these materials and for estimation of the effective masses of the electrons and holes. Neglecting spin-orbit effects, the band gap of MACa I3,MASr I3 , and MABa I3 were estimated to be 2.95, 3.6, and 3.3 eV, respectively, showing the relative change expected for metal cation exchange. The shifts in the conduction band (CB) edges for the alkaline-earth perovskites were quantified using scalar relativistic DFT calculations and tight-binding analysis, and were compared to the situation in the more extensively studied lead halide perovskite, C H3N H3Pb I3 , where the change in the work function of the metal is the single most important factor in tuning the CB edge and band gap. The results show that alkaline-earth-based organometallic perovskites will not work as an efficient light absorber in photovoltaic applications but instead could be applicable as charge-selective contact materials. The rather high CB edge and the wide band gap together with the large

  6. Lanthanides: New life metals?

    Science.gov (United States)

    Chistoserdova, Ludmila

    2016-08-01

    Lanthanides (Ln(3+)) that are Rare Earth Elements, until recently thought to be biologically inert, have recently emerged as essential metals for activity and expression of a special type of methanol dehydrogenase, XoxF. As XoxF enzyme homologs are encoded in a wide variety of microbes, including microbes active in important environmental processes such as methane and methanol metabolism, Ln(3+) may represent some of the key biogeochemical drivers in cycling of carbon and other elements. However, significant gaps in understanding the role of Ln(3+) in biological systems remain as the functions of most of the proteins potentially dependent of Ln(3+) and their roles in specific metabolic networks/respective biogeochemical cycles remain unknown. Moreover, enzymes dependent on Ln(3+) but not related to XoxF enzymes may exist, and these so far have not been recognized. Through connecting the recently uncovered genetic divergence and phylogenetic distribution of XoxF-like enzymes and through elucidation of their activities, metal and substrate specificities, along with the biological contexts of respective biochemical pathways, most parsimonious scenarios for their evolution could be uncovered. Generation of such data will firmly establish the role of Ln(3+) in the biochemistry of Life inhabiting this planet. PMID:27357406

  7. Synthetic rubbers prepared by lanthanide coordination catalysts

    Institute of Scientific and Technical Information of China (English)

    CHEN WenQi; WANG FoSong

    2009-01-01

    China is rich in rare earth resources. Rare earth elements, also named Ianthanides, are number 58 to number 81 elements in the elemental periodic table. They have unique electronic structures and may form various coordination compounds. In the early 1960s, researchers at the Changchun Institute of Applied Chemistry, Chinese Academy of Sciences (CIAC) found the catalytic activities of lanthanide compounds in stereospecific polymerization of conjugated dienes, and published the first paper on this topic in 1964. On the basis of this finding, CIAC launched extensive research activities on lanthanide compounds as diene polymerization catalysts, from a series of fundamental research to the efforts of industrializing the rare earth catalyzed cis~(-1),4-polybutatine rubber and cis~(-1),4-polyisoprene rubber. This review aims to summarize the progress in this field in the past half century.

  8. Comparative investigation on the effect of alkaline earth oxides on the intensity of absorption bands due to Cu2+, Mn3+ and Cr3+ ions in ternary silicate glasses

    Indian Academy of Sciences (India)

    S P Singh; Aman; Anal Tarafder

    2004-06-01

    Absorption characteristics of Cu2+, Mn3+ and Cr3+ ions in ternary silicate (20Na2O.10RO.70SiO2, where R=Ca, Sr, Ba) glasses were investigated. The intensities of absorption bands due to Cu2+ ion was found to increase with increasing ionic radii of the alkaline earth ions whereas it was found to decrease in case of Mn3+ and Cr3+ ions with increasing ionic radii of the alkaline earth ions. The results were discussed in the light of relation between linear extinction coefficients of these ions and coulombic force of alkaline earth ions. The change in intensities of Cu2+, Mn3+ and Cr3+ ion is attributed due to change in silicate glass compositions.

  9. Recovery of lanthanides

    International Nuclear Information System (INIS)

    This paper discusses a method for recovering a lanthanide and thorium from a material containing a fluorine compound and the lanthanide and thorium. It comprises a. obtaining the material from a roasted, acid-leached bastnasite ore; b. forming a mixture of the material with at least about ten weight percent of silica; c. contacting the mixture with sulfuric acid; d. heating the mixture and sulfuric acid to a temperature of at least about 150 degrees C for at least about 3 hours to cause most of the fluorine to be released as a volatile material containing silicon and fluorine; e. contacting the reacted mixture with an aqueous medium consisting essentially of water to solubilize the lanthanide and thorium while leaving an insoluble residue; and f. separating the aqueous solution of the lanthanide and thorium from the insoluble residue

  10. Lanthanide single molecule magnets

    CERN Document Server

    Tang, Jinkui

    2015-01-01

    This book begins by providing basic information on single-molecule magnets (SMMs), covering the magnetism of lanthanide, the characterization and relaxation dynamics of SMMs, and advanced means of studying lanthanide SMMs. It then systematically introduces lanthanide SMMs ranging from mononuclear and dinuclear to polynuclear complexes, classifying them and highlighting those SMMs with high barrier and blocking temperatures – an approach that provides some very valuable indicators for the structural features needed to optimize the contribution of an Ising type spin to a molecular magnet. The final chapter presents some of the newest developments in the lanthanide SMM field, such as the design of multifunctional and stimuli-responsive magnetic materials as well as the anchoring and organization of the SMMs on surfaces. In addition, the crystal structure and magnetic data are clearly presented with a wealth of illustrations in each chapter, helping newcomers and experts alike to better grasp ongoing trends and...

  11. Lanthanide single molecule magnets

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Jinkui; Zhang, Peng [Chinese Academy of Sciences, Changchun (China). Changchun Inst. of Applied Chemistry

    2015-10-01

    This book begins by providing basic information on single-molecule magnets (SMMs), covering the magnetism of lanthanide, the characterization and relaxation dynamics of SMMs and advanced means of studying lanthanide SMMs. It then systematically introduces lanthanide SMMs ranging from mononuclear and dinuclear to polynuclear complexes, classifying them and highlighting those SMMs with high barrier and blocking temperatures - an approach that provides some very valuable indicators for the structural features needed to optimize the contribution of an Ising type spin to a molecular magnet. The final chapter presents some of the newest developments in the lanthanide SMM field, such as the design of multifunctional and stimuli-responsive magnetic materials as well as the anchoring and organization of the SMMs on surfaces. In addition, the crystal structure and magnetic data are clearly presented with a wealth of illustrations in each chapter, helping newcomers and experts alike to better grasp ongoing trends and explore new directions.

  12. Determination of rare earth elements, uranium and thorium in geological samples by ICP-MS, using an automatic fusion machine as an alkaline digestion tool.

    Science.gov (United States)

    Granda, Luis; Rivera, Maria; Velasquez, Colon; Barona, Diego; Carpintero, Natalia

    2014-05-01

    At the present time, rare earth elements deposits have became in strategic resources for extraction of raw materials in order to manufacture high tech devices (computers, LCD, cell phones, batteries for hybrid vehicles, fiber optics and wind turbines) (1).The appropriate analytical determination of the REE ( rare earth elements) in sediment and rock samples , is important to find potential deposits and to recognize geological environments for identifying possible alterations and mineral occurrences. The alkaline fusion, which aim is to move the entire sample from solid to liquid state by forming water soluble complexes of boron and lithium, as a previous procedure for the determination of these elements, usually takes a lot of time due to the complexity of the analysis phase and by the addition of other reagents (Tm and HF ) (2) to compensate the lack of strict temperature control. The objective of this work is to develop an efficient alternative to alkaline digestion using an electrical fusion machine, which allows to create temperature programs with advanced process control and supports up to 5 samples simultaneously, which generates a reproducibility of the method and results during the melting step. Additionally, this new method permits the processing of a larger number of samples in a shorter time. The samples analyzed in this method were weighed into porcelain crucibles and subjected to calcination for 4 hours at 950 ° C in order to determine the Lost on Ignition (LOI ) , that serves to adjust the analytical results and to preserve the shelf life of the platinum ware. Subsequently, a fraction of the calcined sample was weighed into platinum crucibles and mixed with ultra-pure lithium metaborate ( flux ) 1:4 . The crucible was then placed in the fusion machine, which was programmed to take the sample from room temperature to 950 ° C in five minutes, make a small ramp to 970 ° C maintain that temperature for five minutes and download the melt in a 10 % v / v

  13. Transient compounds of high alkaline earth metals with custom-made organic ligands as potential precursors for the gas phase separator of high temperature ceramic superconductors

    International Nuclear Information System (INIS)

    The aim of this work was the representation of new transient custom-made metal/organic compounds of the high alkaline earth metals Ca, Sr and Ba as potential precursors for the gas phase separation (chemical vapour deposition, CVD) of high temperature ceramic superconductors. There is a report on the synthesis and comprehensive characterisation of representatives of the class of compounds of substituted metallocenes and the B diketone compounds of these metals. Some selected compounds were examined as regards their suitability for CVD. The main task was the examination of the effect of structural and electronic parameters of ligands on the properties of the compounds, where the volatility was to the fore. (orig./MM)

  14. Dispersion coefficients for the interactions of the alkali and alkaline-earth ions and inert gas atoms with a graphene layer

    CERN Document Server

    Kaur, Kiranpreet; Sahoo, B K

    2015-01-01

    Largely motivated by a number of applications, the van der Waals dispersion coefficients ($C_3$s) of the alkali ions (Li$^+$, Na$^+$, K$^+$ and Rb$^+$), the alkaline-earth ions (Ca$^+$, Sr$^+$, Ba$^+$ and Ra$^+$) and the inert gas atoms (He, Ne, Ar and Kr) with a graphene layer are determined precisely within the framework of Dirac model. For these calculations, we have evaluated the dynamic polarizabilities of the above atomic systems very accurately by evaluating the transition matrix elements employing relativistic many-body methods and using the experimental values of the excitation energies. The dispersion coefficients are, finally, given as functions of the separation distance of an atomic system from the graphene layer and the ambiance temperature during the interactions. For easy extraction of these coefficients, we give a logistic fit to the functional forms of the dispersion coefficients in terms of the separation distances at the room temperature.

  15. Production of Synthesis Gas via Methane Reforming with CO2 on Ni/SiO2 Catalysts Promoted by Alkali and Alkaline Earth Metals

    Institute of Scientific and Technical Information of China (English)

    陈平; 侯昭胤; 郑小明

    2005-01-01

    Ni/SiO2 catalysts promoted by alkali metals K and Cs or alkaline earth metals Mg, Ca, Sr and Ba were prepared, characterized by H2-TPR and XRD, and used for the production of synthesis gas via methane reforming with CO2. Though K and Cs promoted Ni catalysts could eliminate coke deposition, the reforming activity of these promoted catalysts was decreased heavily. Mg and Ca promoted Ni/SiO2 catalysts exhibited excellent coke resistance ability with minor loss of the reforming activity of Ni/SiO2. Ba showed poor coke resistance ability and small amount of Sr increased the formation of coke. The possible mechanism of these promoters was discussed.

  16. Additive effects of alkaline-earth metals and nickel on the performance of Co/γ-Al2O3 in methane catalytic partial oxidation

    Institute of Scientific and Technical Information of China (English)

    Changlin Yu; Weizheng Weng; Qing Shu; Xiangjie Meng; Bin Zhang; Xirong Chen; Xiaochun Zhou

    2011-01-01

    Nano-sized γ-alumina(γ-Al2O3)was first prepared by a precipitation method.Then,active component of cobalt and a series of alkalineearth metal promoters or nickel(Ni)with different contents were loaded on the γ-Al2O3 support.The catalysts were characterized by N2 adsorption-desorption,X-ray diffraction(XRD)and thermogravimetry analysis(TGA).The activity and selectivity of the catalysts in catalytic partial oxidation(CPO)of methane have been compared with Co/γ-Al2O3,and it is found that the catalytic activity,selectivity,and stability are enhanced by the addition of alkaline-earth metals and nickel.The optimal loadings of strontium(Sr)and Ni were 6 and 4 wt%,respectively.This finding will be helpful in designing the trimetallic Co-Ni-Sr/γ-Al2O3 catalysts with high performance in CPO of methane.

  17. The addition effects of alkaline earth ions in the chemical synthesis of ɛ-Fe2O3 nanocrystals that exhibit a huge coercive field

    Science.gov (United States)

    Ohkoshi, Shin-ichi; Sakurai, Shunsuke; Jin, Jian; Hashimoto, Kazuhito

    2005-05-01

    An iron oxide/silica composite material, which was prepared by combining reverse-micelle and sol-gel techniques, exhibited a huge coercive field Hc of 20kOe (1.6×105Am-1) in our previous work. The key of this synthetic procedure was the added Ba2+ ions that created a single phase of ɛ-Fe2O3. In the present work, the addition effect of Ca2+ ions to this procedure was investigated. Consequently, rod-shape ɛ-Fe2O3 nanocrystals (40-120nm ×15-20nm) were obtained and a Hc value of 20kOe was observed. Thermodynamical analysis that considered the surface energy of nanoparticle suggested that a single ɛ-Fe2O3 phase was generated by retarding the crystal growth of Fe2O3 particles under the presence of alkaline earth ions.

  18. Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS2

    International Nuclear Information System (INIS)

    Single adsorption of different atoms on pristine two-dimensional monolayer MoS2 have been systematically investigated by using density functional calculations with van der Waals correction. The adatoms cover alkali metals, alkaline earth metals, main group metal, 3d-transition metals, coinage metal and nonmetal atoms. Depending on the adatom type, metallic, semimetallic or semiconducting behavior can be found in direct bandgap monolayer MoS2. Additionally, local or long-range magnetic moments of two-dimensional MoS2 sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS2 monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application

  19. Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS2

    Directory of Open Access Journals (Sweden)

    X. D. Li

    2015-05-01

    Full Text Available Single adsorption of different atoms on pristine two-dimensional monolayer MoS2 have been systematically investigated by using density functional calculations with van der Waals correction. The adatoms cover alkali metals, alkaline earth metals, main group metal, 3d-transition metals, coinage metal and nonmetal atoms. Depending on the adatom type, metallic, semimetallic or semiconducting behavior can be found in direct bandgap monolayer MoS2. Additionally, local or long-range magnetic moments of two-dimensional MoS2 sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS2 monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application.

  20. Dispersion coefficients for the interactions of the alkali-metal and alkaline-earth-metal ions and inert-gas atoms with a graphene layer

    Science.gov (United States)

    Kaur, Kiranpreet; Arora, Bindiya; Sahoo, B. K.

    2015-09-01

    Largely motivated by a number of applications, the van der Waals dispersion coefficients C3 of the alkali-metal ions Li+,Na+,K+, and Rb+, the alkaline-earth-metal ions Ca+,Sr+,Ba+, and Ra+, and the inert-gas atoms He, Ne, Ar, and Kr with a graphene layer are determined precisely within the framework of the Dirac model. For these calculations, we evaluate the dynamic polarizabilities of the above atomic systems very accurately by evaluating the transition matrix elements employing relativistic many-body methods and using the experimental values of the excitation energies. The dispersion coefficients are given as functions of the separation distance of an atomic system from the graphene layer and the ambiance temperature during the interactions. For easy extraction of these coefficients, we give a logistic fit to the functional forms of the dispersion coefficients in terms of the separation distances at room temperature.

  1. A modelling exercise on the importance of ternary alkaline earth carbonate species of uranium(VI) in the inorganic speciation of natural waters

    International Nuclear Information System (INIS)

    Highlights: • The U(VI) speciation in natural waters has been modelled through a modelling exercise. • The results evidence the importance of alkaline earth U(VI) carbonate complexes. • Possible solubility-controlling phases were reported and discussed. • The differences were related to the choice and reliability of thermodynamic data. • Databases need to be improved for reliable U(VI) speciation calculations. - Abstract: Predictive modelling of uranium speciation in natural waters can be achieved using equilibrium thermodynamic data and adequate speciation software. The reliability of such calculations is highly dependent on the equilibrium reactions that are considered as entry data, and the values chosen for the equilibrium constants. The working group “Speciation” of the CETAMA (Analytical methods establishment committee of the French Atomic Energy commission, CEA) has organized a modelling exercise, including four participants, in order to compare modellers’ selections of data and test thermodynamic data bases regarding the calculation of U(VI) inorganic speciation. Six different compositions of model waters were chosen so that to check the importance of ternary alkaline earth carbonate species of U(VI) on the aqueous speciation, and the possible uranium solid phases as solubility-limiting phases. The comparison of the results from the participants suggests (i) that it would be highly valuable for end-users to review thermodynamic constants of ternary carbonate species of U(VI) in a consistent way and implement them in available speciation data bases, and (ii) stresses the necessary care when using data bases to avoid biases and possible erroneous calculations

  2. Enhanced NH{sub 3} gas sensing performance based on electrospun alkaline-earth metals composited SnO{sub 2} nanofibers

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Shuang [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Kan, Kan [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Daqing Branch, Heilongjiang Academy of Sciences, Daqing 163319 (China); Yang, Ying; Jiang, Chao [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Gao, Jun [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Department of Chemistry, Harbin Normal University, Harbin 150025 (China); Jing, Liqiang [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Shen, Peikang [Department of Physics and Engineering Sun Yat-sen University, Guangzhou 510275 (China); Li, Li, E-mail: llwjjhlju@sina.cn [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Key Laboratory of Chemical Engineering Process and Technology for High-efficiency Conversion, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); and others

    2015-01-05

    Highlights: • The small-sized SnO{sub 2} (5–7 nm) were obtained by adding the alkaline-earth. • Sr-composited SnO{sub 2} nanofibers showed uniform nanotubes structure (Sr/SnO{sub 2}). • Sr/SnO{sub 2} showed an excellent sensing performance to NH{sub 3} at room temperature. - Abstract: One-dimensional alkaline-earth metals composited SnO{sub 2} (Ae/SnO{sub 2}) nanofibres were fabricated via electrospinning technique, followed by thermal treatment at 600 °C for 5 h. Transmission electron microscopy (TEM) studies showed that the nanoparticles size of Ae/SnO{sub 2} was 5–7 nm, which was smaller than the pristine SnO{sub 2} nanorods attached by 20 nm nanoparticles. Moreover, Sr/SnO{sub 2} nanocomposites showed uniform nanotubes structure with the wall thickness of about 30 nm, in which all the nanoparticles were connected to their neighbors by necks. The Sr/SnO{sub 2} nanotubes exhibited an excellent sensing response toward NH{sub 3} gas at room temperature, lower detection limit (10 ppm), faster response time (6 s towards 2000 ppm∼16 s towards 10 ppm) and better reversibility compared to the pristine SnO{sub 2} nanorods. The enhanced sensor performances were attributed to the higher conductivity of the Sr/SnO{sub 2}. Mott–Schottky plots (M–S) and electrochemical impedance spectroscopy (EIS) measurements indicated that the carrier density of Sr/SnO{sub 2} nanotubes was 3 fold of that pristine SnO{sub 2}.

  3. Syntheses and characterization of energetic compounds constructed from alkaline earth metal cations (Sr and Ba) and 1,2-bis(tetrazol-5-yl)ethane

    International Nuclear Information System (INIS)

    Two new energetic compounds, [M(BTE)(H2O)5]n (M=Sr(1), Ba(2)) [H2BTE=1,2-bis(tetrazol-5-yl)ethane], have been hydrothermally synthesized and structurally characterized. Single-crystal X-ray diffraction analyses reveal that they are isomorphous and exhibit 2D (4,4) net framework, generated by 4-connected Sr2(H2O)10/Ba2(H2O)10 SBUs linked up by two independent binding modes of H2BTE, and the resulting 2D structure is interconnected by hydrogen-bond and strong face to face π-π stacking interactions between two tetrazole rings to lead to a 3D supramolecular architecture. DSC measurements show that they have significant catalytic effects on thermal decomposition of ammonium perchlorate. Moreover, the photoluminescence properties, thermogravimetric analyses, and flame colors of the as-prepared compounds are also investigated in this paper. - Graphical abstract: Two novel 2D isomorphous alkaline earth metal complexes were assembled by 4-connected Sr2(H2O)10/Ba2(H2O)10 SBUs and two independent binding modes of H2BTE ligands, and the catalytic performances toward thermal decomposition of ammonium perchlorate and photoluminescent properties of them were investigated. Highlights: → Two novel alkaline earth energetic coordination polymers have been prepared.→ Both structures are layered based on 4-connected Sr2(H2O)10/Ba2(H2O)10 SBUs and two distinct H2BTE coordination modes.→ The dehydrated products of the compounds possess good thermostability and significant catalytic effects on thermal decomposition of AP.

  4. Effect of the nature of alkali and alkaline-earth oxides on the structure and crystallization of an alumino-borosilicate glass developed to immobilize highly concentrated nuclear waste solutions

    International Nuclear Information System (INIS)

    A complex rare-earth rich alumino-borosilicate glass has been proved to be a good candidate for the immobilization of new high level radioactive wastes. A simplified seven-oxides composition of this glass was selected for this study. In this system, sodium and calcium cations were supposed in other works to simulate respectively all the other alkali (R+ = Li+, Rb+, Cs+) and alkaline-earth (R2+ = Sr2+, Ba2+) cations present in the complex glass composition. Moreover, neodymium or lanthanum are used here to simulate all the rare-earths and actinides occurring in waste solutions. In order to study the impact of the nature of R+ and R2+ cations on both glass structure and melt crystallization tendency during cooling, two glass series were prepared by replacing either Na+ or Ca2+ cations in the simplified glass by respectively (Li+, K+, Rb+, Cs+) or (Mg2+, Sr2+, Ba2+) cations. From these substitutions, it was established that alkali ions are preferentially involved in the charge compensation of (AlO4)- entities in the glass network comparatively to alkaline-earth ions. The glass compositions containing calcium give way to the crystallization of an apatite silicate phase bearing calcium and rare-earth ions. The melt crystallization tendency during cooling strongly varies with the nature of the alkaline-earth. (authors)

  5. Comparisons between adsorption and diffusion of alkali, alkaline earth metal atoms on silicene and those on silicane: Insight from first-principles calculations

    Science.gov (United States)

    Bo, Xu; Huan-Sheng, Lu; Bo, Liu; Gang, Liu; Mu-Sheng, Wu; Chuying, Ouyang

    2016-06-01

    The adsorption and diffusion behaviors of alkali and alkaline-earth metal atoms on silicane and silicene are both investigated by using a first-principles method within the frame of density functional theory. Silicane is staler against the metal adatoms than silicene. Hydrogenation makes the adsorption energies of various metal atoms considered in our calculations on silicane significantly lower than those on silicene. Similar diffusion energy barriers of alkali metal atoms on silicane and silicene could be observed. However, the diffusion energy barriers of alkali-earth metal atoms on silicane are essentially lower than those on silicene due to the small structural distortion and weak interaction between metal atoms and silicane substrate. Combining the adsorption energy with the diffusion energy barriers, it is found that the clustering would occur when depositing metal atoms on perfect hydrogenated silicene with relative high coverage. In order to avoid forming a metal cluster, we need to remove the hydrogen atoms from the silicane substrate to achieve the defective silicane. Our results are helpful for understanding the interaction between metal atoms and silicene-based two-dimensional materials. Project supported by the Natural Science Foundation of Jiangxi Province, China (Grant Nos. 20152ACB21014, 20151BAB202006, and 20142BAB212002) and the Fund from the Jiangxi Provincial Educational Committee, China (Grant No. GJJ14254). Bo Xu is also supported by the Oversea Returned Project from the Ministry of Education, China.

  6. Distribution, speciation and bioavailability of Lanthanides in the Rhine-Meuse estuary, The Netherlands

    NARCIS (Netherlands)

    Moermond, C.T.A.; Tijink, J.; Wezel, van A.P.; Koelmans, A.A.

    2001-01-01

    Changing environmental conditions may influence the fate and bioavailability of lanthanides (part of the rare earth elements [Ln]) in estuaries. The aim of this study was to quantify the variation in estuarine lanthanide solid/water distribution, speciation, and bioaccumulation. The latter was studi

  7. Lanthanide-humic substances complexation. II. Calibration of humic ion-binding model V

    Energy Technology Data Exchange (ETDEWEB)

    Jeroen E. Sonke [CNRS/IRD/Universite Paul Sabatier Toulouse III, Toulouse (France). Laboratoire des Mecanismes et Transferts en Geologie

    2006-12-15

    The experimental complexation of the lanthanides (Sc, Y, and rare earth elements) with Suwannee river fulvic acid, Leonardite coal humic acid, and Elliot soil humic acid is described with Humic Ion-Binding Model V. The fitted intrinsic equilibrium constants for metal-proton exchange, pK{sub MHA}, for Eu{sup 3+} are similar to previously published experimental fits, and linear free energy relationship (LFER) estimated values. The experimentally observed lanthanide contraction effect in REE-humic complex stability is reflected in the gradual decrease in pK{sub MHA} from La to Lu. In Model V, a decrease in pK{sub MHA} from La to Lu indicates an increase in complex stability. Fitted pK{sub MHA} values for heavy REE are lower than those estimated by LFERs. Consequently, REE fractionation by humic substances complexation could be more pronounced than previously thought. Recommended pK{sub MHA} values for lanthanide-fulvic and -humic acid complexation are derived by superimposing the fitted trends in pK{sub MHA} for all REE, i.e., the decrease in pK{sub MHA} from La to Lu, on the average Eu pK{sub MHA} value for all literature datasets. These results will allow modeling assessments of organic matter induced REE fractionation in aquatic environments, taking into account changes in pH, ionic strength, and ion competition. A simulation of dissolved REE speciation in an average world river suggests that organic matter out competes carbonate complexation, even under alkaline conditions. 48 refs., 4 figs., 3 tabs.

  8. Rare earth elements and titanium in plants, soils and groundwaters in the alkaline-ultramafic complex of Salitre, MG, Brazil

    OpenAIRE

    Ceccantini, G.; Figueiro, A.M.G.; Sondag, Francis; Soubiès, François

    1997-01-01

    The contents of Rare Earth Elements (REE) and titanium in various species of plants, in groundwaters and in soils from the ultramafic complex of Salitre, MG, Brazil, were determined. Due to the particular mineralogy of the bedrock, REE and Ti present high concentrations in the soils. The transfer factors of the REE from soil to plants were calculated, giving values ranging from 0.0001 to 0.0028, much lower than the values reported elsewhere in Brazil. Furthermore, as suggested by other author...

  9. Luminescent macrocyclic lanthanide complexes

    Science.gov (United States)

    Raymond, Kenneth N.; Corneillie, Todd M.; Xu, Jide

    2012-05-08

    The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds incorporate hydroxy-isophthalamide moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability. These characteristics distinguish them from known, open-structured ligands.

  10. Determination of alkaline earth metal ions in solar salt by ion chromatography after solvent extraction with 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone

    International Nuclear Information System (INIS)

    Ion chromatography was effectively applied to the determination of alkaline earth elements (Mg, Ca, Sr and Ba) in solar salt after extraction with 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (HPMBP) into MIBK. The recommended procedure was as follows : the samples (20 ∼ 50 g) were dissolved in about 150 ml of water and the solution was filtered through filter paper into a 200-ml volumetric flask. Ten ml of the sample was pipetted into a centrifuge tube, 5 ml of NH3-NH4Cl buffer solution (pH 9.5), and 15 ml 0.05 M HPMBP-MIBK solution were added. The mixture was shaken vigorously for 30 min. After the phases were separated, an 8-ml portion of the organic phase was transferred into another tube and the alkaline earth elements were back-extracted with 8 ml of the 0.1 M hydrochloric acid. The aqueous phase (6 ml) was heated on a hot plate at 100 deg C in order to remove the dissolved MIBK in the phase. After cooling to room temperature, the solution was diluted to 25 ml with water. A 100 μl aliquot of the sample was analyzed by use of an ion chromatograph (Yokogawa Hokushin Electric Works, model IC 100) equipped with a precolumn (PCX 1, 50 mm x 4.6 mm i.d.) and a separation column (SCX 1, 250 mm x 4.6 mm i.d.) by using 2 mM ethylene diamine-4 mM tartaric acid as a mobile phase (2 ml/min). The detection limits (S/N = 2) were 1.5 ppb for Mg2+, 3.4 ppb for Ca2+, 20 ppb for Sr2+ and 50 ppb for Ba2+, respectively. Relative standard deviation (n = 7) was less than 6.3 % for the simultaneous determination of four elements. The recoveries of Mg2+, Ca2+, Sr2+ and Ba2+ by the proposed method were 100 ∼ 105, 95 ∼ 105, 97 ∼ 101 and 95 ∼ 101 %, respectively. (author)

  11. Lanthanide metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Peng (ed.) [Nankai Univ., Tianjin (China). Dept. of Chemistry

    2015-03-01

    This book contains the following nine chapters: lanthanide metal-organic frameworks: syntheses, properties, and potential applications (Stephen Fordham, Xuan Wang, Mathieu Bosch, Hong-Cai Zhou); 2. chiral lanthanide metal-organic frameworks (Weisheng Liu, Xiaoliang Tang); 3. Porous lanthanide metal-organic frameworks for gas storage and separation (Bin Li, Banglin Chen); 4. Luminescent lanthanide metal-organic frameworks (Xue-Zhi Song, Shu-Yan Song, Hong-Jie Zhang); 5. Metal-organic frameworks based on lanthanide clusters (Lian Chen, Feilong Jiang, Kang Zhou, Mingyan Wu, Maochun Hong); 6. metal-organic frameworks with d-f cyanide bridges: structural diversity, bonding regime, and magnetism (Marilena Ferbinteanu, Fanica Cimpoesu, Stefania Tanase); 7. transition-lanthanide heterometal-organic frameworks: synthesis, structures, and properties (Wei Shi, Ke Liu, Peng Cheng); 8: MOFs of uranium and the actinides (Juan Su, Jiesheng Chen); 9. Nanostructured and/or nanoscale lanthanide metal-organic frameworks (Zhonghao Zhang, Zhiping Zheng).

  12. Lanthanide metal-organic frameworks

    International Nuclear Information System (INIS)

    This book contains the following nine chapters: lanthanide metal-organic frameworks: syntheses, properties, and potential applications (Stephen Fordham, Xuan Wang, Mathieu Bosch, Hong-Cai Zhou); 2. chiral lanthanide metal-organic frameworks (Weisheng Liu, Xiaoliang Tang); 3. Porous lanthanide metal-organic frameworks for gas storage and separation (Bin Li, Banglin Chen); 4. Luminescent lanthanide metal-organic frameworks (Xue-Zhi Song, Shu-Yan Song, Hong-Jie Zhang); 5. Metal-organic frameworks based on lanthanide clusters (Lian Chen, Feilong Jiang, Kang Zhou, Mingyan Wu, Maochun Hong); 6. metal-organic frameworks with d-f cyanide bridges: structural diversity, bonding regime, and magnetism (Marilena Ferbinteanu, Fanica Cimpoesu, Stefania Tanase); 7. transition-lanthanide heterometal-organic frameworks: synthesis, structures, and properties (Wei Shi, Ke Liu, Peng Cheng); 8: MOFs of uranium and the actinides (Juan Su, Jiesheng Chen); 9. Nanostructured and/or nanoscale lanthanide metal-organic frameworks (Zhonghao Zhang, Zhiping Zheng).

  13. Strong luminescence of rare earth compounds in ionic liquids: Luminescent properties of lanthanide(III) iodides in the ionic liquid 1-dodecyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide

    International Nuclear Information System (INIS)

    Purposely designed ionic liquids can be excellent solvents for spectroscopic studies of rare earth compounds. Absorption, excitation and emission spectra of LnI3 (Ln = Nd, Dy and Tb) in the ionic liquid 1-dodecyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide are presented. Electronic transitions were assigned from the energy level diagrams for Ln(III). Emission lifetimes for DyI3 in [C12mim][Tf2N] are discussed. Traces of water dramatically reduce the otherwise long lifetimes and comparatively high quantum yields

  14. Multi-element trace determinations in pure alkaline earth fluoride powders by high-resolution ICP-MS using wet-chemical sample preparation and laser ablation

    Energy Technology Data Exchange (ETDEWEB)

    Tibi, Markus; Heumann, Klaus G. [Institute of Inorganic Chemistry and Analytical Chemistry, Johannes Gutenberg-University Mainz, Duesbergweg 10-14, 55099, Mainz (Germany)

    2003-09-01

    Four alternative analytical procedures for the determination of ten important trace impurities (Mg, Cr, Fe, Cu, Zn, Sr, Zr, Cd, Ba, and Pb) in pure alkaline earth fluoride powders were applied using high-resolution inductively coupled plasma mass spectrometry (ICP-MS). Two procedures are based on a wet-chemical microwave digestion with boric acid and quantification by the standard addition technique and isotope dilution mass spectrometry (IDMS), respectively. In addition, analyses are also performed by laser ablation as a direct solid sampling technique applying matrix-matched external calibration as well as isotope dilution of the powdered sample. For most elements good agreement between the different methods is found. Detection limits for laser ablation vary between 0.05 ng g{sup -1} for Zr and 20 ng g{sup -1} for Mg. They are about one to two orders of magnitude lower than those of the wet-chemical procedures, which is mainly due to the high dilution factor during the sample preparation step. Advantages and restrictions of the different analytical procedures are discussed with respect to their routine applicability. Due to its relatively high accuracy, low detection limits, and time-efficiency LA-ICP-IDMS is the preferred choice if no standard reference materials are available. (orig.)

  15. CO{sub 2} Capture Properties of Alkaline-earth Metal Oxides and Hydroxides: A Combined Density Functional Theory and Lattice Phonon Dynamics Study

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Yuhua; Sorescu, Dan

    2010-01-01

    By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO{sub 2} absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH){sub 2} (where M = Be,Mg,Ca,Sr,Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO{sub 2} capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH){sub 2} systems were found to be better candidates for CO{sub 2} sorbent applications due to their lower operating temperatures (600–700 K). In the presence of H{sub 2}O, MgCO{sub 3} can be regenerated into Mg(OH){sub 2} at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO{sub 2} pressure but also on the H{sub 2}O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO{sub 2} sorbents.

  16. CO2 capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Yuhua [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Sorescu, Dan C. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)

    2010-01-01

    By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO2 absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH)2 (where M = Be, Mg, Ca, Sr, Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO2 capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH)2 systems were found to be better candidates for CO2 sorbent applications due to their lower operating temperatures (600-700 K). In the presence of H2O, MgCO3 can be regenerated into Mg(OH)2 at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO2 pressure but also on the H2O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO2 sorbents.

  17. CO(2) capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study.

    Science.gov (United States)

    Duan, Yuhua; Sorescu, Dan C

    2010-08-21

    By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO(2) absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH)(2) (where M=Be,Mg,Ca,Sr,Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO(2) capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH)(2) systems were found to be better candidates for CO(2) sorbent applications due to their lower operating temperatures (600-700 K). In the presence of H(2)O, MgCO(3) can be regenerated into Mg(OH)(2) at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO(2) pressure but also on the H(2)O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO(2) sorbents. PMID:20726653

  18. Theoretical study for the reduction of N2O with CO Mediated by alkaline-earth metal oxide cations 2MO+(M=Ca, Sr, Ba)

    International Nuclear Information System (INIS)

    The reaction mechanism of the reaction N2O(0Σ+) + CO (1Σ+)→N2 (1Σg+) + CO2 (1Σg+) mediated by alkaline-earth metal oxide cations 2MO+ (m=Ca, Sr, Ba) have been investigated by using the UB3LYP and CCSD (T) levels of theory. The O-atom affinities (OA) testified that only the 2CaO+ can capture O from N2O and transfer O to CO is thermodynamically allowed in three ions. The processes can be expressed as channels l and 2 for the reaction of N2O and CO mediated by 2MO+ (M=Ca, Sr, Ba). For the former, the main reaction processes in a two-step manner to products, the 2MO+, as a catalyzer, transports an oxygen atom from N2O to CO. For the latter, firstly, the N2O interact with the 2MO+ to form IM1, then IM1 interact with the CO to form IM2', along the reaction pathway the intermediate species convert into products 21MO+, N2 and CO2. From above results, the following conclusion was drawn. The channel 2 is kinetically and thermodynamically feasible. Our calculated results show the title reactions are accord with the experiment. (authors)

  19. The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation

    Directory of Open Access Journals (Sweden)

    Jin-Gang Ma

    2015-08-01

    Full Text Available Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and Ba doped anatase TiO2 are investigated by using density functional theory calculations with the HSE06 and PBE functionals. By combining our results with those of previous studies, the HSE06 functional provides a better description of electronic structures. The calculated formation energies indicate that the substitution of a lattice Ti with an AEM atom is energetically favorable under O-rich growth conditions. The electronic structures suggest that, AEM dopants shift the valence bands (VBs to higher energy, and the dopant-state energies for the cases of Ca, Sr, and Ba are quite higher than Fermi levels, while the Be and Mg dopants result into the spin polarized gap states near the top of VBs. The components of VBs and dopant-states support that the AEM dopants are active in inter-band transitions with lower energy excitations. As to optical properties, Ca/Sr/Ba are more effective than Be/Mg to enhance absorbance in visible region, but the Be/Mg are superior to Ca/Sr/Ba for the absorbance improvement in near-IR region.

  20. Dipole Polarizability of Alkali-Metal (Na, K, Rb) - Alkaline-Earth-Metal (Ca,Sr) Polar molecules - Prospects of Alignment

    CERN Document Server

    Gopakumar, Geetha; Hada, Masahiko; Kajita, Masatoshi

    2014-01-01

    Electronic open-shell ground-state properties of selected alkali-metal (AM) - alkaline-earth-metal (AEM) polar molecules are investigated. We determine potential energy curves of the 2{\\Sigma}+ ground state at the coupled-cluster singles and doubles with partial triples (CCSD(T)) level of electron correlation. Calculated spectroscopic constants for the isotopes (23Na, 39K, 85Rb) - (40Ca, 88Sr) are compared with available theoretical and experimental results. The variation of the permanent dipole moment (PDM), average dipole polarizability, and polarizability anisotropy with internuclear distance is determined using finite-field perturbation theory at the CCSD(T) level. Owing to moderate PDM (KCa: 1.67 D, RbCa: 1.75 D, KSr: 1.27 D, RbSr: 1.41 D) and large polarizability anisotropy (KCa: 566 a.u., RbCa: 604 a.u., KSr: 574 a.u., RbSr: 615 a.u.), KCa, RbCa, KSr, and RbSr are potential candidates for alignment and orientation in combined intense laser and external static electric fields.

  1. Ab initio properties of the ground-state polar and paramagnetic europium-alkali-metal-atom and europium-alkaline-earth-metal-atom molecules

    CERN Document Server

    Tomza, Michał

    2014-01-01

    The properties of the electronic ground state of the polar and paramagnetic europium-$S$-state-atom molecules have been investigated. Ab initio techniques have been applied to compute the potential energy curves for the europium-alkali-metal-atom, Eu$X$ ($X$=Li, Na, K, Rb, Cs), europium-alkaline-earth-metal-atom, Eu$Y$ ($Y$=Be, Mg, Ca, Sr, Ba), and europium-ytterbium, EuYb, molecules in the Born-Oppenheimer approximation for the high-spin electronic ground state. The spin restricted open-shell coupled cluster method restricted to single, double, and noniterative triple excitations, RCCSD(T), was employed and the scalar relativistic effects within the small-core energy-consistent pseudopotentials were included. The permanent electric dipole moments and static electric dipole polarizabilities were computed. The leading long-range coefficients describing the dispersion interaction between atoms at large internuclear distances $C_6$ are also reported. The EuK, EuRb, and EuCs molecules are examples of species poss...

  2. High hydrogen loading of thin palladium wires through alkaline earth carbonates' precipitation on the cathodic surface - evidence of a new phase in the Pd-H system

    International Nuclear Information System (INIS)

    A new protocol for the electrolytic loading of hydrogen (H) in thin palladium (Pd) wires has been developed. In order to increase the cathodic overvoltage, which is known to be the main parameter capable to enhance the electrolytic H loading of Pd, the catalytic action of the Pd surface versus H-H recombination has been strongly reduced by precipitation of a thin layer of alkaline-earth carbonates on the cathode. A set of electrolytes has been employed, containing small amounts of hydrochloric or sulfuric acid and strontium or calcium ions. The H loading has been continuously evaluated through ac measurements of the Pd wire resistance. Uncommonly low resistivity values, leading to an estimate of exceptionally high H loading, have been observed. Evidence of the existence of a new phase in the very high H content region of the Pd-H system has been inferred on the basis of the determination of the temperature coefficient of the electrical resistivity. Mainly for this purpose a thin layer of Hg was galvanically deposed on the cathodic surface, in order to prevent any H deloading during the measurements. The results have been fully reproduced in other 2 well equipped and experienced Laboratories (Italy, USA)

  3. The low temperature radiolysis of cis-syn-cis-dicyclohexano-18-crown-6 complexes with alkaline earth metal nitrates: An evidence for energy transfer to the macrocyclic ligand

    Science.gov (United States)

    Zakurdaeva, O. A.; Nesterov, S. V.; Shmakova, N. A.; Sokolova, N. A.; Feldman, V. I.

    2015-10-01

    Formation of paramagnetic intermediates in macrocyclic complexes of cis-syn-cis-dicyclohexano-18-crown-6 (DCH18C6) with alkaline earth metal nitrates under X-rays irradiation was studied by EPR spectroscopy. NO32- dianions appear to be predominant intermediate species in the samples irradiated at 77 K at low doses (up to 40 kGy). This result was interpreted as an evidence for energy transfer within the complex from crown ether to nitrate anion. Increase in the absorbed dose from 40 kGy to 284 kGy results in built-up of a new EPR signal assigned to macrocyclic -CH2-ĊH-O- radicals produced from crown ether moieties. Thermal annealing of the irradiated macrocyclic complexes at 273 К led to fast decay of NO32- . This process was accompanied by a formation of -CH2-ĊH-O- radicals in secondary reactions. The nature of the metal cations coordinated in the macrocycle cavity had no appreciable effect on the composition of radical products and their post-radiation transformations.

  4. Transfer of alkaline earth elements in mothers' milk and doses from {sup 45}Ca, {sup 90}Sr and {sup 226}Ra

    Energy Technology Data Exchange (ETDEWEB)

    Smith, T.J.; Phipps, A.W.; Fell, T.P.; Harrison, J.D

    2003-07-01

    An international programme of work is currently under way to develop methods for calculating doses to infants from ingestion of radionuclides present in mothers' milk. This paper considers the special case of the alkaline earth elements. Models have been developed for {sup 45}Ca, {sup 90}Sr and {sup 226}Ra and the sensitivity of results to various changes in parameter values is discussed. A complication when calculating doses from intakes of radium is that the International Commission on Radiological Protection has previously recommended that doses from decay products of radium should be calculated using element-specific biokinetic models (so-called independent biokinetics). An extension of this method to the models for breastfeeding is proposed. Preliminary estimates of the doses received by the infant for a number of maternal intake scenarios show that doses to the infant can exceed the corresponding adult dose, such as for {sup 45}Ca (ratio = 3.1) while, in other cases such as {sup 90}Sr, the infant dose can be a significant fraction of the adult dose. (author)

  5. Structural study of the uranyl and rare earth complexation functionalized by the CMPO; Etude structurale de la complexation de l'uranyle et des ions lanthanides par des calixarenes fonctionnalises par le CMPO

    Energy Technology Data Exchange (ETDEWEB)

    Cherfa, S

    1998-12-10

    In view of reducing the volume of nuclear waste solutions, a possible way is to extract simultaneously actinide and lanthanide ions prior to their ulterior separation.. Historically, the two extractant families used for nuclear waste reprocessing are the phosphine oxides and the CMPO (Carbamoyl Methyl Phosphine Oxide). For a better understanding of the complexes formed during extraction, we undertook structural studies of the complexes formed between uranyl and lanthanide (III) ions and the two classes of ligands cited above. These studies have been performed by X-ray diffraction on single crystals. Recently, a new type of extractants of lanthanide (III) and actinide (III) ions has been developed. When the Organic macrocycle called calixarene (an oligomeric compound resulting from the poly-condensation of phenolic units) is functionalized by a CMPO ligand, the extracting power, in terms of yield and selectivity towards lightest lanthanides, is greatly enhanced compared to the one measured for the single CMPO. Our X-ray diffraction studies allowed us to characterise, in terms of stoichiometry and monodentate or bidentate coordination mode of the CMPO functions, the complexes of calix[4]arene-CMPO (with four phenolic units) with lanthanide nitrates and uranyl. These different steps of characterisation enabled us to determine the correlation between the structures of the complexes and both selectivity and exacerbation of the extracting power measured in the liquid phase. (author)

  6. Separation of thorium (IV) from lanthanide concentrate (LC) and water leach purification (WLP) residue

    International Nuclear Information System (INIS)

    Thorium (IV) content in industrial residue produced from rare earth elements production industry is one of the challenges to Malaysian environment. Separation of thorium from the lanthanide concentrate (LC) and Water Leach Purification (WLP) residue from rare earth elements production plant is described. Both materials have been tested by sulphuric acid and alkaline digestions. Th concentrations in LC and WLP were determined to be 1289.7 ± 129 and 1952.9±17.6 ppm respectively. The results of separation show that the recovery of Th separation from rare earth in LC after concentrated sulphuric acid dissolution and reduction of acidity to precipitate Th was found 1.76-1.20% whereas Th recovery from WLP was less than 4% after concentrated acids and alkali digestion processes. Inductively Coupled Plasma-Mass Spectroscopy (ICP-MS) was used to determine Th concentrations in aqueous phase during separation stages. This study indicated that thorium maybe exists in refractory and insoluble form which is difficult to separate by these processes and stays in WLP residue as naturally occurring radioactive material (NORM)

  7. Study of the effect hydrogen binding in the solvation of alkaline earth cations with MeOH in nitromethane using 1 H NMR technique and determination of ionic solvation number

    CERN Document Server

    Alizadeh, N

    2001-01-01

    A proton NMR method for the study of the effect hydrogen binding and determination of solvation numbers of alkaline earth cations with methanol (MeOH) in in tromethane (NM) as diluent is described. The method is based on monitoring the resonance frequency of MeOH protons as a function of MeOH to metal ion mole ratio at constant metal ion concentration. the average solvation number of cation, n, at any MeOH/ metal ion mole ration was calculated from the NMR chemical shift-mole ration data and was plotted against the mole ration values. The solvation numbers of alkaline earth cations were obtained from the limiting values of the corresponding n, vs. mole ratio plots.

  8. Sequential separation of ultra-trace U, Th, Pb, and lanthanides using a simple automatic system.

    Science.gov (United States)

    Miyamoto, Yutaka; Yasuda, Kenichiro; Magara, Masaaki

    2015-07-01

    Uranium, thorium, lead, and the lanthanides were automatically and sequentially separated with a single anion-exchange column. This separation was achieved using eluents consisting of a simple and highly pure acid mixture of HCl, HNO3, acetic acid, and HF. The elements of interest were separated from the major constituents, which included alkaline metal elements, alkaline earth metal elements, and iron. This simple and automatic system is driven with pressurized nitrogen gas and controlled using a computer program. An optimized separation was accomplished under the following conditions: a 50 mm long and 2 mm diameter column, 11 μm diameter anion-exchange resin, and a 35 μL min(-1) flow rate. Using this system, 50 ng of varied elements in a 100 μL feed solution were perfectly separated within 5 h with >400 decontamination factors and >95% yield. In order to evaluate the performance of this system, a reference powdered rock sample was separated using this system. Abundances of objective elements, including 0.23 ng of lutetium, were accurately determined without corrections of chemical recovery yield or subtraction of the process blank. This separation technique saves time and effort for chemical processing, and is useful for ultra-trace quantitative and isotopic analyses of elements in small environmental samples. PMID:25994104

  9. Nanometrization of Lanthanide-Based Coordination Polymers.

    Science.gov (United States)

    Neaime, Chrystelle; Daiguebonne, Carole; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Grasset, Fabien; Cordier, Stéphane; Guillou, Olivier

    2015-11-23

    Heteronuclear lanthanide-based coordination polymers are microcrystalline powders, the luminescence properties of which can be precisely tuned by judicious choice of the rare-earth ions. In this study, we demonstrate that such materials can also be obtained as stable solutions of nanoparticles in non-toxic polyols. Bulk powders of the formula [Ln2-2x Ln'2x (bdc)3 ⋅4 H2 O]∞ (where H2 bdc denotes 1,4-benzene-dicarboxylic acid, 0≤x≤1, and Ln and Ln' denote lanthanide ions of the series La to Tm plus Y) afford nanoparticles that have been characterized by dynamic light-scattering (DLS) and transmission electron microscopy (TEM) measurements. Their luminescence properties are similar to those of the bulk materials. Stabilities versus time and versus dilution with another solvent have been studied. This study has revealed that it is possible to tune the size of the nanoparticles. This process offers a reliable means of synthesizing suspensions of nanoparticles with tunable luminescence properties and tunable size distributions in a green solvent (glycerol). The process is also extendable to other coordination polymers and other solvents (ethylene glycol, for example). It constitutes a new route for the facile solubilization of lanthanide-based coordination polymers. PMID:26471940

  10. Elastic and mechanical properties of lanthanide monoxides

    Energy Technology Data Exchange (ETDEWEB)

    Shafiq, M. [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Arif, Suneela [Department of Physics, Hazara University, Mansehra (Pakistan); Ahmad, Iftikhar, E-mail: ahma5532@gmail.com [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Asadabadi, S. Jalali [Department of Physics, Faculty of Science, University of Isfahan, Hezar Gerib Avenue, Isfahan 81744 (Iran, Islamic Republic of); Maqbool, M. [Department of Physics and Astronomy, Ball State University, Muncie, IN 47306 (United States); Rahnamaye Aliabad, H.A. [Department of Physics, Hakim Sabzevari University, Sabzevar (Iran, Islamic Republic of)

    2015-01-05

    Highlights: • Elastic, mechanical and thermal properties of rare-earth lanthanide monoxide are theoretically investigated. • Higher values of Young’s modulus indicate that these compounds are stiffer. • These compounds show anisotropic character and also show resistance against deforming force due to compressible character. • These mechanically stable materials can be effectively used for practical applications. - Abstract: In this article we communicate theoretical results of the mechanical properties of lanthanide monoxide LnO (Ln = La, Ce, Pr, Nd, Sm, Eu, Tb, Ho, Er and Yb) i.e., bulk modulus, shear modulus, Young’s modulus, anisotropic ratio, Kleinman parameters, Poisson’s ratio, Lame’s coefficients, sound velocities for shear and longitudinal waves, and Debye temperature. Cauchy pressure and B/G ratio are also investigated to explore the ductile and brittle nature of these compounds. The calculations are performed with the density functional theory based full potential linearized augmented plane waves (FP-LAPW) method. The calculated results reveal that lanthanide based monoxides are mechanically stable and possess good resistive power against elastic deformations. Therefore, these mechanically stable materials can effectively be used for practical applications. The computed DOSs shows the metallic character of these compounds. Contour plots of the electron charge densities are also computed to reveal the nature of bonding in these compounds.

  11. Interaction of Rydberg atoms in circular states with the alkaline-earth Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms

    Energy Technology Data Exchange (ETDEWEB)

    Mironchuk, E. S.; Narits, A. A.; Lebedev, V. S., E-mail: vlebedev@sci.lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)

    2015-11-15

    The resonant mechanism of interaction of alkaline-earth atoms having a low electron affinity to Rydberg atoms in circular (l = vertical bar m vertical bar = n–1) and near-circular states has been studied. To describe the dynamics of resonant processes accompanied by nonadiabatic transitions between ionic and Rydberg covalent terms of a quasimolecule, an approach based on the integration of coupled equations for the probability amplitudes has been developed taking into account the possibility of the decay of an anion in the Coulomb field of the positive ionic core of a highly excited atom. The approach involves the specific features of the problem associated with the structure of the wavefunction of a Rydberg electron in states with high orbital angular momenta l ∼ n–1. This approach provides a much more accurate description of the dynamics of electronic transitions at collisions between atoms than that within the modified semiclassical Landau–Zener model. In addition, this approach makes it possible to effectively take into account many channels of the problem. The cross sections for resonant quenching of Rydberg states of the Li(nlm) atom with given principal n, orbital l = n–1, and magnetic m quantum numbers at thermal collisions with the Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms have been calculated. The dependences of the results on n, m, and angle α between the relative velocity of the atoms and the normal to the plane of the orbit of the Rydberg electron have been obtained. The influence of orientational effects on the efficiency of the collisional destruction of circular and near-circular states has been studied. The results indicate a higher stability of such states to their perturbations by neutral particles as compared to usually studied nl states with low values of l (l ≪ n)

  12. Alkaline Earth Metal Zirconate Perovskites MZrO3 (M=Ba(2+), Sr(2+), Ca(2+)) Derived from Molecular Precursors and Doped with Eu(3+) Ions.

    Science.gov (United States)

    Drąg-Jarząbek, Anna; John, Łukasz; Petrus, Rafał; Kosińska-Klähn, Magdalena; Sobota, Piotr

    2016-03-24

    The effect of alkaline earth metal alkoxides on the protonation of zirconocene dichloride was investigated. This approach enabled the design of compounds with preset molecular structures for generating high-purity binary metal oxide perovskites MZrO3 (M=Ba(2+), Sr(2+), Ca(2+)). Single-source molecular precursors [Ba4 Zr2 (μ6 -O)(μ3 ,η(2)-OR)8 (OR)2(η(2) -HOR)2 (HOR)2 Cl4], [Sr4 Zr2 (μ6 -O)(μ3 ,η(2)-OR)8 (OR)2 (HOR)4 Cl4], [Ca4 Zr2 (μ6-O)(μ3 ,η(2)-OR)8 (OR)2 Cl4], and [Ca6 Zr2 (μ2 ,η(2)-OR)12 (μ-Cl)2 (η(2) -HOR)4 Cl6 ]⋅8 CH2 Cl2 were prepared via elimination of the cyclopentadienyl ring from Cp2 ZrCl2 as CpH in the presence of M(OR)2 and alcohol ROH (ROH=CH3OCH2 CH2OH) as a source of protons. The resulting complexes were characterized by elemental analysis, IR and NMR spectroscopy, and single-crystal X-ray diffraction. The compounds were then thermally decomposed to MCl2 /MZrO3 mixtures. Leaching of MCl2 from the raw powder with deionized water produced highly pure perovskite-like oxide particles of 40-80 nm in size. Luminescence studies on Eu(3+)-doped MZrO3 revealed that the perovskites are attractive host lattices for potential applications in display technology. PMID:26891039

  13. Absorption spectroscopy of heavy alkaline earth metals Ba and Sr in rare gas matrices—CCSD(T) calculations and atomic site occupancies

    International Nuclear Information System (INIS)

    Isolation of the heavier alkaline earth metals Ba and Sr in the solid rare gases (RGs) Ar, Kr, and Xe is analysed with absorption spectroscopy and interpreted partly with the assistance of ab initio calculations of the diatomic M ⋅ RG ground state interaction potentials. The y1P←a1S resonance transitions in the visible spectral region are used to compare the isolation conditions of these two metal atom systems and calcium. Complex absorption bands were recorded in all three metal atom systems even after extensive sample annealing. Coupled cluster calculations conducted on the ground states of the nine M ⋅ RG diatomics (M = Ca, Sr, and Ba; RG = Ar, Kr, and Xe) at the coupled cluster single, double, and non-iterative triple level of theory revealed long bond lengths (>5 Å) and shallow bound regions (<130 cm−1). All of the M ⋅ RG diatomics have bond lengths considerably longer than those of the rare gas dimers, with the consequence that isolation of these metal atoms in a single substitutional site of the solid rare gas is unlikely, with the possible exception of Ca/Xe. The luminescence of metal dimer bands has been recorded for Ba and Sr revealing very different behaviours. Resonance fluorescence with a lifetime of 15 ns is observed for the lowest energy transition of Sr2 while this transition is quenched in Ba2. This behaviour is consistent with the absence of vibrational structure on the dimer absorption band in Ba2 indicating lifetime broadening arising from efficient relaxation to low-lying molecular states. More extensive 2D excitation-emission data recorded for the complex site structures present on the absorption bands of the atomic Ba and Sr systems will be presented in future publications

  14. Absorption spectroscopy of heavy alkaline earth metals Ba and Sr in rare gas matrices—CCSD(T) calculations and atomic site occupancies

    Energy Technology Data Exchange (ETDEWEB)

    Davis, Barry M.; McCaffrey, John G., E-mail: john.mccaffrey@nuim.ie [Department of Chemistry, Maynooth University, National University of Ireland—Maynooth, County Kildare (Ireland)

    2016-01-28

    Isolation of the heavier alkaline earth metals Ba and Sr in the solid rare gases (RGs) Ar, Kr, and Xe is analysed with absorption spectroscopy and interpreted partly with the assistance of ab initio calculations of the diatomic M ⋅ RG ground state interaction potentials. The y{sup 1}P←a{sup 1}S resonance transitions in the visible spectral region are used to compare the isolation conditions of these two metal atom systems and calcium. Complex absorption bands were recorded in all three metal atom systems even after extensive sample annealing. Coupled cluster calculations conducted on the ground states of the nine M ⋅ RG diatomics (M = Ca, Sr, and Ba; RG = Ar, Kr, and Xe) at the coupled cluster single, double, and non-iterative triple level of theory revealed long bond lengths (>5 Å) and shallow bound regions (<130 cm{sup −1}). All of the M ⋅ RG diatomics have bond lengths considerably longer than those of the rare gas dimers, with the consequence that isolation of these metal atoms in a single substitutional site of the solid rare gas is unlikely, with the possible exception of Ca/Xe. The luminescence of metal dimer bands has been recorded for Ba and Sr revealing very different behaviours. Resonance fluorescence with a lifetime of 15 ns is observed for the lowest energy transition of Sr{sub 2} while this transition is quenched in Ba{sub 2}. This behaviour is consistent with the absence of vibrational structure on the dimer absorption band in Ba{sub 2} indicating lifetime broadening arising from efficient relaxation to low-lying molecular states. More extensive 2D excitation-emission data recorded for the complex site structures present on the absorption bands of the atomic Ba and Sr systems will be presented in future publications.

  15. Interaction of Rydberg atoms in circular states with the alkaline-earth Ca(4s2) and Sr(5s2) atoms

    International Nuclear Information System (INIS)

    The resonant mechanism of interaction of alkaline-earth atoms having a low electron affinity to Rydberg atoms in circular (l = vertical bar m vertical bar = n–1) and near-circular states has been studied. To describe the dynamics of resonant processes accompanied by nonadiabatic transitions between ionic and Rydberg covalent terms of a quasimolecule, an approach based on the integration of coupled equations for the probability amplitudes has been developed taking into account the possibility of the decay of an anion in the Coulomb field of the positive ionic core of a highly excited atom. The approach involves the specific features of the problem associated with the structure of the wavefunction of a Rydberg electron in states with high orbital angular momenta l ∼ n–1. This approach provides a much more accurate description of the dynamics of electronic transitions at collisions between atoms than that within the modified semiclassical Landau–Zener model. In addition, this approach makes it possible to effectively take into account many channels of the problem. The cross sections for resonant quenching of Rydberg states of the Li(nlm) atom with given principal n, orbital l = n–1, and magnetic m quantum numbers at thermal collisions with the Ca(4s2) and Sr(5s2) atoms have been calculated. The dependences of the results on n, m, and angle α between the relative velocity of the atoms and the normal to the plane of the orbit of the Rydberg electron have been obtained. The influence of orientational effects on the efficiency of the collisional destruction of circular and near-circular states has been studied. The results indicate a higher stability of such states to their perturbations by neutral particles as compared to usually studied nl states with low values of l (l ≪ n)

  16. Separation of light lanthanides

    International Nuclear Information System (INIS)

    A plan is presented for separating the ternary mixture of La, Nd and Pr at a joint utilization of the methods of fractional counter-current extraction and of ammonia barbotage (Trombe method) carried out by the applied Trombe method. At concentrations of lanthanides of the order of 100 g/l La and Nd concentrates were achieved this were further processed by the method of fractional counter-current extraction. (author)

  17. Electromigration in molten salts and application to isotopic separation of alkaline and alkaline-earth elements; Electromigration en sels fondus et application a la separation des isotopes des elements alcalins et alcalino-terreux

    Energy Technology Data Exchange (ETDEWEB)

    Menes, F. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    The separation of the isotopes of the alkaline-earth elements has been studied using counter-current electromigration in molten bromides. The conditions under which the cathode operates as a bromine electrode for the highest possible currents have been examined. For the separation of calcium, it has been necessary to use a stable CaBr{sub 2} - (CaBr{sub 2} + KBr) 'chain'. In the case of barium and strontium, it was possible to employ the pure bromides. Enrichment factors of the order of 10 for {sup 48}Ca and of the order of 1.5 for the rare isotopes of barium and strontium have been obtained. In the case of magnesium the method is slightly more difficult to apply because of material loss due to the relatively high vapour pressure of the salt requiring the use of electrolyte chains, MgBr{sub 2} - CeBr{sub 3}. A study has been made that has led to a larger-scale application of the method. These are essentially the inhibition of reversible operation of the cathode by traces of water, limiting the intensity which can be tolerated; evacuation of the heat produced by the Joule effect, in the absence of which the separation efficiency is reduced by thermal gradients; corrosion of the materials by molten salts at high temperature. Several cells capable of treating a few kilograms of substance have been put into operation; none of these has lasted long enough to produce a satisfactory enrichment. The method is thus limited actually to yields of the order of a few grams. (author) [French] On a etudie la separation des isotopes des elements alcalino-terreux par electromigration a contre-courant en bromures fondus. On a etudie les conditions dans lesquelles la cathode fonctionne en electrode a brome pour des intensites les plus elevees possibles. Pour la separation du calcium, il a ete necessaire d'utiliser une chaine stable CaBr{sub 2} - (CaBr{sub 2} + KBr). Pour le baryum et le strontium, on a pu operer sur les bromures purs. On a obtenu des facteurs d

  18. Aromatic triamide-lanthanide complexes

    Science.gov (United States)

    Raymond, Kenneth N; Petoud, Stephane; Xu, Jide

    2013-10-08

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one phthalamidyl moiety. Also provided are probes incorporating the phthalamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  19. Chemical composition of modern and fossil Hippopotamid teeth and implications for paleoenvironmental reconstructions and enamel formation - Part 2: Alkaline earth elements as tracers of watershed hydrochemistry and provenance

    Science.gov (United States)

    Brügmann, G.; Krause, J.; Brachert, T. C.; Stoll, B.; Weis, U.; Kullmer, O.; Ssemmanda, I.; Mertz, D. F.

    2012-03-01

    For reconstructing environmental change in terrestrial realms the geochemistry of fossil bioapatite in bones and teeth is among the most promising applications. This study demonstrates that alkaline earth elements in enamel of Hippopotamids, in particular Ba and Sr are tracers for water provenance and hydrochemistry. The studied specimens are molar teeth from Hippopotamids found in modern and fossil lacustrine settings of the Western Branch of the East African Rift system (Lake Kikorongo, Lake Albert, and Lake Malawi) and from modern fluvial environments of the Nile River. Concentrations in enamel vary by ca. two orders of magnitude for Ba (120-9336 μg g-1) as well as for Sr (9-2150 μg g-1). Concentration variations in enamel are partly induced during post-mortem alteration and during amelogenesis, but the major contribution originates from the variable water chemistry in the habitats of the Hippopotamids which is dominated by the lithologies and weathering processes in the watershed areas. Amelogenesis causes a distinct distribution of Ba and Sr in modern and fossil enamel, in that element concentrations increase along profiles from the outer rim towards the enamel-dentin junction by a factor of 1.3-1.5. These elements are well correlated with MgO and Na2O in single specimens, thus suggesting that their distribution is determined by a common, single process. Presuming that the shape of the tooth is established at the end of the secretion process and apatite composition is in equilibrium with the enamel fluid, the maturation process can be modeled by closed system Rayleigh crystallization. Enamel from many Hippopotamid specimens has Sr/Ca and Ba/Ca which are typical for herbivores, but the compositions extend well into the levels of plants and carnivores. Within enamel from single specimens these element ratios covary and provide a specific fingerprint of the Hippopotamid habitat. All specimens together, however, define subparallel trends with different Ba

  20. Chemical composition of modern and fossil hippopotamid teeth and implications for paleoenvironmental reconstructions and enamel formation - Part 2: Alkaline earth elements as tracers of watershed hydrochemistry and provenance

    Science.gov (United States)

    Brügmann, G.; Krause, J.; Brachert, T. C.; Stoll, B.; Weis, U.; Kullmer, O.; Ssemmanda, I.; Mertz, D. F.

    2012-11-01

    This study demonstrates that alkaline earth elements in enamel of hippopotamids, in particular Ba and Sr, are tracers for water provenance and hydrochemistry in terrestrial settings. The studied specimens are permanent premolar and molar teeth found in modern and fossil lacustrine sediments of the Western Branch of the East African Rift system (Lake Kikorongo, Lake Albert, and Lake Malawi) and from modern fluvial environments of the Nile River. Concentrations in enamel vary by two orders of magnitude for Ba (120-9336 μg g-1) as well as for Sr (9-2150 μg g-1). The variations are partially induced during post-mortem alteration and during amelogenesis, but the major contribution originates ultimately from the variable water chemistry in the habitats of the hippopotamids which is controlled by the lithologies and weathering processes in the watershed areas. Amelogenesis causes a distinct distribution of MgO, Ba and Sr in modern and fossil enamel, in that element concentrations increase along profiles from the outer rim towards the enamel-dentin junction by a factor of 1.3-1.9. These elements are well correlated in single specimens, thus suggesting that their distribution is determined by a common, single process, which can be described by closed system Rayleigh crystallization of bioapatite in vivo. Enamel from most hippopotamid specimens has Sr/Ca and Ba/Ca which are typical for herbivores. However, Ba/Sr ranges from 0.1 to 3 and varies on spatial and temporal scales. Thus, Sr concentrations and Ba/Sr in enamel differentiate between habitats having basaltic mantle rocks or Archean crustal rocks as the ultimate sources of Sr and Ba. This provenance signal is modulated by climate change. In Miocene to Pleistocene enamel from the Lake Albert region, Ba/Sr decreases systematically with time from 2 to 0.5. This trend can be correlated with changes in climate from humid to arid, in vegetation from C3 to C4 biomass as well as with increasing evaporation of the lake water

  1. Surprisingly Different Reaction Behavior of Alkali and Alkaline Earth Metal Bis(trimethylsilyl)amides toward Bulky N-(2-Pyridylethyl)-N'-(2,6-diisopropylphenyl)pivalamidine.

    Science.gov (United States)

    Kalden, Diana; Oberheide, Ansgar; Loh, Claas; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias

    2016-07-25

    N-(2,6-Diisopropylphenyl)-N'-(2-pyridylethyl)pivalamidine (Dipp-N=C(tBu)-N(H)-C2 H4 -Py) (1), reacts with metalation reagents of lithium, magnesium, calcium, and strontium to give the corresponding pivalamidinates [(tmeda)Li{Dipp-N=C(tBu)-N-C2 H4 -Py}] (6), [Mg{Dipp-N=C(tBu)-N-C2 H4 -Py}2 ] (3), and heteroleptic [{(Me3 Si)2 N}Ae{Dipp-N=C(tBu)-N-C2 H4 -Py}], with Ae being Ca (2 a) and Sr (2 b). In contrast to this straightforward deprotonation of the amidine units, the reaction of 1 with the bis(trimethylsilyl)amides of sodium or potassium unexpectedly leads to a β-metalation and an immediate deamidation reaction yielding [(thf)2 Na{Dipp-N=C(tBu)-N(H)}] (4 a) or [(thf)2 K{Dipp-N=C(tBu)-N(H)}] (4 b), respectively, as well as 2-vinylpyridine in both cases. The lithium derivative shows a similar reaction behavior to the alkaline earth metal congeners, underlining the diagonal relationship in the periodic table. Protonation of 4 a or the metathesis reaction of 4 b with CaI2 in tetrahydrofuran yields N-(2,6-diisopropylphenyl)pivalamidine (Dipp-N=C(tBu)-NH2 ) (5), or [(thf)4 Ca{Dipp-N=C(tBu)-N(H)}2 ] (7), respectively. The reaction of AN(SiMe3 )2 (A=Na, K) with less bulky formamidine Dipp-N=C(H)-N(H)-C2 H4 -Py (8) leads to deprotonation of the amidine functionality, and [(thf)Na{Dipp-N=C(H)-N-C2 H4 -Py}]2 (9 a) or [(thf)K{Dipp-N=C(H)-N-C2 H4 -Py}]2 (9 b), respectively, are isolated as dinuclear complexes. From these experiments it is obvious, that β-metalation/deamidation of N-(2-pyridylethyl)amidines requires bases with soft metal ions and also steric pressure. The isomeric forms of all compounds are verified by single-crystal X-ray structure analysis and are maintained in solution. PMID:27355970

  2. Characterization and activity of alkaline earth metals loaded CeO{sub 2}–MO{sub x} (M = Mn, Fe) mixed oxides in catalytic reduction of NO

    Energy Technology Data Exchange (ETDEWEB)

    Mousavi, Seyed Mahdi [Department of Applied Chemistry and Chemical Engineering, Faculty of Chemistry, University of Tabriz, 5166616471 Tabriz (Iran, Islamic Republic of); Niaei, Aligholi, E-mail: niaei@yahoo.com [Department of Applied Chemistry and Chemical Engineering, Faculty of Chemistry, University of Tabriz, 5166616471 Tabriz (Iran, Islamic Republic of); Illán Gómez, María José [Carbon Materials and Environment Research Group, Department of Inorganic Chemistry, Faculty of Science, Universidad de Alicante, Alicante (Spain); Salari, Dariush; Nakhostin Panahi, Parvaneh [Department of Applied Chemistry and Chemical Engineering, Faculty of Chemistry, University of Tabriz, 5166616471 Tabriz (Iran, Islamic Republic of); Abaladejo-Fuentes, Vicente [Carbon Materials and Environment Research Group, Department of Inorganic Chemistry, Faculty of Science, Universidad de Alicante, Alicante (Spain)

    2014-02-14

    Nanocrystalline CeO{sub 2}–MO{sub x} mixed oxides (M = Mn, Fe) with different M/(M + Ce) molar ratio are prepared by sol–gel combustion method. X-Ray Diffraction (XRD), Transmission Electron Microscopy (TEM), Temperature Programmed Reduction with H{sub 2} (H{sub 2}-TPR) and N{sub 2}-adsorption (BET) analyses are conducted to characterize the physical–chemical properties of the catalysts. The activity of catalysts for reduction of NOx with ammonia has been evaluated. The CeO{sub 2}–MnO{sub x} catalysts showed better low temperature activity than CeO{sub 2}–FeO{sub x}. The superior activity of CeO{sub 2}–MnO{sub x} with Mn/(Mn + Ce) molar ratio of 0.25 respect to other catalysts (with 83% NO conversion and 68% N{sub 2} yield at 200 °C) is associated to nanocrystalline structure, reducibility at low temperature and synergistic effect between Ce and Mn that are observed by XRD, TEM and H{sub 2}-TPR. The CeO{sub 2}–FeO{sub x} catalysts were found to be active at high temperature, being Ce–Fe the best catalyst yielded 82% NO conversion at 300 °C. The effect of alkaline earth metals (Ca, Mg, Sr and Ba) loading on the structure and catalytic activity of cerium mixed oxides are also investigated. Loading of Ba enhanced the NO reduction activity of mixed oxides due to the increase of number of basic sites. Highest performance with 91% NO conversion and 80% N{sub 2} yield attained over CeO{sub 2}–MnO{sub x} (0.25)-Ba (7%) catalyst at 200 °C. - Highlights: • CeO{sub 2}–MO{sub x} mixed oxides (M = Mn, Fe) were synthesized by sol–gel combustion method. • The activity of mixed oxides is evaluated in catalytic reduction of NO with NH{sub 3}. • The CeO{sub 2}–MnO{sub x} showed better activity than CeO{sub 2}–FeO{sub x} due to better redox properties. • Ba loading enhanced the activity due to the increase of number of basic sites. • 91% NO conversion and 80% N{sub 2} yield attained over 7%Ba–Ce{sub 0.75}Mn{sub 0.25}O{sub 2} at 200 °C.

  3. Alkaline quinone flow battery

    OpenAIRE

    Lin, Kaixiang; Chen, Qing; Gerhardt, Michael; Tong, Liuchuan; Kim, Sang Bok; Eisenach, Louise Ann; Valle, Alvaro West; Hardee, D.; Gordon, Roy Gerald; Aziz, Michael J.; Marshak, M

    2015-01-01

    Storage of photovoltaic and wind electricity in batteries could solve the mismatch problem between the intermittent supply of these renewable resources and variable demand. Flow batteries permit more economical long-duration discharge than solid-electrode batteries by using liquid electrolytes stored outside of the battery. We report an alkaline flow battery based on redox-active organic molecules that are composed entirely of Earth-abundant elements and are nontoxic, nonflammable, and safe f...

  4. New Opportunities for Lanthanide Luminescence

    Institute of Scientific and Technical Information of China (English)

    Jean-Claude G. Bünzli; Steve Comby; Anne-Sophie Chauvin; Caroline D. B. Vandevyver

    2007-01-01

    Trivalent lanthanide ions display fascinating optical properties. The discovery of the corresponding elements and their first industrial uses were intimately linked to their optical properties. This relationship has been kept alive until today when many high-technology applications of lanthanide-containing materials such as energy-saving lighting devices, displays, optical fibers and amplifiers, lasers, responsive luminescent stains for biomedical analyses and in cellulo sensing and imaging, heavily rely on the brilliant and pure-color emission of lanthanide ions. In this review we first outlined the basics of lanthanide luminescence with emphasis on f-f transitions, the sensitization mechanisms, and the assessment of the luminescence efficiency of lanthanide-containing emissive molecular edifices. Emphasis was then put on two fast developing aspects of lanthanide luminescence: materials for telecommunications and light emitting diodes, and biomedical imaging and sensing. Recent advances in NIR-emitting materials for plastic amplifiers and waveguides were described, together with the main solutions brought by researchers to minimize non-radiative deactivation of excited states. The demonstration in 1999 that erbium tris(8-hydroxyquinolinate) displayed a bright green emission suitable for organic light emitting diodes (OLEDs) was followed by realizing that in OLEDs, 25% of the excitation energy leads to singlet states and 75% to triplet states. Since lanthanide ions are good triplet quenchers, they now also play a key role in the development of these lighting devices. Luminescence analyses of biological molecules are among the most sensitive analytical techniques known. The long lifetime of the lanthanide excited states allows time-resolved spectroscopy to be used, suppressing the sample autofluorescence and reaching very low detection limits. Not only visible lanthanide sensors are now ubiquitously provided in medical diagnosis and in cell imaging, but the

  5. Laser ablation synthesis of lanthanide oxide cluster ions incorporating a heterovalent metal

    Energy Technology Data Exchange (ETDEWEB)

    Gibson, J.K. [Oak Ridge National Lab., TN (United States)

    1996-01-11

    Lanthanide (Ln) oxide cluster ions produced directly by excimer laser ablation of oxalates into vacuum were investigated by time-of-flight mass spectrometry. Whereas previous studies in our laboratory identified pure Ln{sub m}O{sub n}{sup +} and mixed Ln{sub m1}Ln`{sub m2}O{sub n}{sup +}, the present work focused on analogous clusters incorporating an alkaline earth (A) or transition (T) metal: [C@Ln{sub m}O{sub n}.@pAO]C{sup +} and [C@Ln{sub m}O{sub n}.TO{sub 2}]C{sup +} (Ln = La, Tb, Ho or Yb; A = Ca or Sr; T = Ta, Zr, or Hf). The formation of atomically combined clusters from physical mixtures of a solid lanthanide oxalate with a heterovalent metal oxide supports gas-phase coalescence as the dominant formation mechanism (vs direct cluster ejection). The stoichiometries and abundance distributions of the bimetallic oxide cluster ions are interpreted in the context of their chemical and structural constitutions. Ion abundance maxima for [C@LnO.3AO]C{sup +} are consistent with an ionically bonded cuboid microlattice; this cubic structure type may also pertain to related binary Ln{sub m}O{sub n}{sup +}. Distinctive abundances (stabilities) of such compositions as [C@Ln{sub 3}O{sub 4}.@2AO]C{sup +} and [C@Ln{sub 5}O{sub 7}.@AO]C{sup +} suggest similar cuboid structures there. 29 refs., 4 figs., 1 tab.

  6. Fabrication of lanthanide-doped glasses and their possible application as UV detectors

    OpenAIRE

    McKernan, Desmond C

    1990-01-01

    This work describes the preparation of lanthanide-doped glasses and examines the performance potential of these glasses as UV detectors. All presently available UV detection systems are extremely expensive and most are unstable to some degree. A number of the lanthanides fluoresce within the spectral response region of commercial photomultiplier tubes and glass is a suitable material for use in vacuum systems. Rare earth ions are readily incorporated into a glass m...

  7. Thermodynamic properties of lanthanum and lanthanide dichlorides

    International Nuclear Information System (INIS)

    The critical analysis of the data on the LnCl2 (Ln = La-Lu) structure, oscillation frequencies and thermodynamic functions is carried out. The thermodynamic functions of 15 molecules LnCl2 are calculated in approximation of the rigid rotator-harmonic oscillator model at 298,15, 1000 and 1500 Deg C. The lacking molecular constants of the rare earth elements dichlorides are evaluated on the basis of the empiric regularities of their change in the series of the lanthanide compounds. The data on the energies by excitation of the low-lying (-1) electron states of the rare earth element two and three charge ions are applied for consideration of the electron constituent in the thermodynamic functions

  8. {sup 1}H and {sup 23}Na MAS NMR spectroscopy of cationic species in CO{sub 2} selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    Energy Technology Data Exchange (ETDEWEB)

    Arevalo-Hidalgo, Ana G. [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico); Dugar, Sneha; Fu, Riqiang [National High Magnetic Field Laboratory, Florida State University, Tallahassee, FL 32310 (United States); Hernandez-Maldonado, Arturo J., E-mail: arturoj.hernandez@upr.edu [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico)

    2012-07-15

    The location of extraframework cations in Sr{sup 2+} and Ba{sup 2+} ion-exchanged SAPO-34 was estimated by means of {sup 1}H and {sup 23}Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO{sub 2} adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium. - Graphical abstract: MAS NMR was used to elucidate the position the cationic species in alkaline earth metal exchanged silicoaluminophosphates. These species played a significant role during the ion exchange process and, therefore, the materials ultimate CO{sub 2} adsorption performance. Highlights: Black-Right-Pointing-Pointer Location of extraframework Sr{sup 2+} or Ba{sup 2+} cations was estimated by means of {sup 1}H and {sup 23}Na MAS NMR. Black-Right-Pointing-Pointer Level of Sr{sup 2+} or Ba{sup 2+} ion exchange was limited by the presence of protons and sodium cations. Black-Right-Pointing-Pointer Presence of ammonium cations in the supercages facilitated the exchange. Black-Right-Pointing-Pointer Sr{sup 2+} and Ba{sup 2+} ion exchanged SAPOs are outstanding CO{sub 2} adsorbents.

  9. Mixed ligand complexes of alkaline earth metals: Part XII. Mg(II, Ca(II, Sr(II and Ba(II complexes with 5-chlorosalicylaldehyde and salicylaldehyde or hydroxyaromatic ketones

    Directory of Open Access Journals (Sweden)

    MITHLESH AGRAWAL

    2002-04-01

    Full Text Available The reactions of alkaline earth metal chlorides with 5-chlorosalicylaldehyde and salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been carried out in 1 : 1 : 1 mole ratio and the mixed ligand complexes of the type MLL’(H2O2 (where M = Mg(II, Ca(II, Sr(II and Ba(II, HL = 5-chlorosalicylaldehyde and HL’ = salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been isolated. These complexes were characterized by TLC, conductance measurements, IR and 1H-NMR spectra.

  10. Decomposition kinetics of alkaline earth carbonates by integral approximation method Cinética de decomposição de carbonatos de terra alcalina pelo método de aproximação integral

    OpenAIRE

    S Maitra; Chakrabarty, N.; Pramanik, J.

    2008-01-01

    The decomposition kinetics of four synthetic alkaline earth metal carbonates (MgCO3, CaCO3, SrCO3 and BaCO3) was studied under non-isothermal conditions from thermo-gravimetric measurements as compared to. The integral approximation method of Coats and Redfern was used to determine the kinetic parameters for the decomposition processes. The decomposition reactions followed mostly first order kinetics and the activation energy of the decomposition reactions increased with the increase in the m...

  11. Alkaline autoclave leaching of refractory uranium-thorium minerals

    International Nuclear Information System (INIS)

    This paper deals with the study of an innovative method for processing the Oman placer ores by alkaline leaching in ball mill autoclaves, where grinding and leaching of the refractory minerals take place simultaneously. This was followed by the selective separation of thorium and uranium from lanthanides by autoclave leaching of the hydroxide cake with ammonium carbonate-bicarbonate solutions. The introduced method is based on the fact that thorium and uranium form soluble carbonate complexes with ammonium carbonate, while lanthanides form sparingly soluble double carbonates. It was found that a complete alkaline leaching of Oman placer ores (98.0Percent) was attained at 150 and 175degreeC within 2.5 and 2h, respectively. Oman placer ores leaching was intensified and accelerated in a ball mill autoclaves as a result of the grinding action of steel balls, removal of the hydroxide layer covering ores grains and the continuous contact of fresh ore grains with alkaline solution. The study of selective carbonate processing of hydroxide cake with ammonium carbonate-bicarbonate solutions on autoclave under pressure revealed that the complete thorium recovery (97.5Percent) with uranium recovery (90.8Percent) and their separation from the lanthanides were attained at 70-80degreeC during l-2h. The extraction of lanthanides in carbonate solution was low and did not exceed 4.6Percent.

  12. Lanthanides separation by counter - current electrophoretic using α - hydroxyisobutyric acid

    International Nuclear Information System (INIS)

    Studies about counter-current electrophoretic separation of rare earth metal ions using α-hydroxyisobutyric acid as complexing electrolyte are discussed. La, Pr, Nd, Sm and Eu were separated and fractions with purities better than 99,9% were obtained, using neutron activation analysis. A relation between the first stability constant of the α-hydroxyisobutyrate/lanthanide complexes and their migration velocities were observed. (M.J.C.)

  13. Use of lanthanide catalysts in air electrodes

    International Nuclear Information System (INIS)

    A review on the lanthanide catalysts suitable for the reduction catalysis of oxygen in air electrodes is presented. The kinds of lanthanide indicated to be used as catalysts of oxygen reduction are shown. (A.R.H.)

  14. Alkaline quinone flow battery.

    Science.gov (United States)

    Lin, Kaixiang; Chen, Qing; Gerhardt, Michael R; Tong, Liuchuan; Kim, Sang Bok; Eisenach, Louise; Valle, Alvaro W; Hardee, David; Gordon, Roy G; Aziz, Michael J; Marshak, Michael P

    2015-09-25

    Storage of photovoltaic and wind electricity in batteries could solve the mismatch problem between the intermittent supply of these renewable resources and variable demand. Flow batteries permit more economical long-duration discharge than solid-electrode batteries by using liquid electrolytes stored outside of the battery. We report an alkaline flow battery based on redox-active organic molecules that are composed entirely of Earth-abundant elements and are nontoxic, nonflammable, and safe for use in residential and commercial environments. The battery operates efficiently with high power density near room temperature. These results demonstrate the stability and performance of redox-active organic molecules in alkaline flow batteries, potentially enabling cost-effective stationary storage of renewable energy. PMID:26404834

  15. Rare earths

    International Nuclear Information System (INIS)

    General mineralogical-geochemical and analytical characteristics of (lanthanides and yttrium) are presented. It is pointed out that individual RE in complex chemical composition samples are successfully determined by physical methods of the analysis (emission spectral method, spark mass spectrometry method, neutron + activation analysis). RE sum determination is performed by spectrophotometric titrimetric or gravimetric methods. Principal methods of RE separation and concentration, methods of analytical samples dissolution are considered. Detailed descriptions of some specific techniques of determining rare earths in rocks, ores and minerals are presented

  16. Magnetic moments of lanthanide 3-, 4-nitrobenzoates and 3,4-dinitrobenzoates

    International Nuclear Information System (INIS)

    The magnetic moments for lanthanide 3-nitro and 4-nitrobenzoates were determined at 298 K and those for 3,4-dinitrobenzoates of rare earth elements over the temperature range 77 - 296 K. The complexes of 3,4-dinitrobenzoates of rare earth were found to obey the Curie-Weiss law. The values of μ calculated for all complexes (except that for europium 3,4-dinitrobenzoates) are close to those obtained for Ln3+ ions by Hund and Van Vleck. The results reveal that irrespective of the kind of ligands (3-nitro, 4-nitro or 3,4-dinitrobenzoates) no influence of their field on lanthanide ions occurs. (author)

  17. China's rare-earth industry

    Science.gov (United States)

    Tse, Pui-Kwan

    2011-01-01

    Introduction China's dominant position as the producer of over 95 percent of the world output of rare-earth minerals and rapid increases in the consumption of rare earths owing to the emergence of new clean-energy and defense-related technologies, combined with China's decisions to restrict exports of rare earths, have resulted in heightened concerns about the future availability of rare earths. As a result, industrial countries such as Japan, the United States, and countries of the European Union face tighter supplies and higher prices for rare earths. This paper briefly reviews China's rare-earth production, consumption, and reserves and the important policies and regulations regarding the production and trade of rare earths, including recently announced export quotas. The 15 lanthanide elements-lanthanum, cerium, praseodymium, neodymium, promethium, samarium, europium, gadolinium, terbium, dysprosium, holmium, erbium, thulium, ytterbium, and lutetium (atomic numbers 57-71)-were originally known as the rare earths from their occurrence in oxides mixtures. Recently, some researchers have included two other elements-scandium and yttrium-in their discussion of rare earths. Yttrium (atomic number 39), which lies above lanthanum in transition group III of the periodic table and has a similar 3+ ion with a noble gas core, has both atomic and ionic radii similar in size to those of terbium and dysprosium and is generally found in nature with lanthanides. Scandium (atomic number 21) has a smaller ionic radius than yttrium and the lanthanides, and its chemical behavior is intermediate between that of aluminum and the lanthanides. It is found in nature with the lanthanides and yttrium. Rare earths are used widely in high-technology and clean-energy products because they impart special properties of magnetism, luminescence, and strength. Rare earths are also used in weapon systems to obtain the same properties.

  18. Study of sorption regularities of alkaline and alkali-earth metals cations by sorbents on the basis of zirconium amorphous phosphate

    International Nuclear Information System (INIS)

    In order to obtain the samples of zirconium phosphates in the form of spherical granulation the hydrogel granules of zirconium dioxides were treatment by aqueous solutions of orthophosphoric acid and dihydrophosphate of alkaline metals. Their ion exchange properties were studied by means of potentiometric titration method. The influence of thermal treatment on structural-sorption properties of ion exchangers was studied. It was defined that with temperature increasing of samples treatment their specific surface area decreases, the volume of sorption pores and sorption capacity decreases as well.

  19. Separation of lanthanides through hydroxyapatite

    International Nuclear Information System (INIS)

    With the objective of obtaining from an independent way to each one of the lanthanides 151 Pm, 161 Tb, 166 Ho and 177 Lu free of carrier and with high specific activities starting from the indirect irradiation via, it intends in this work to determine the viability of separation of the couples Nd/Pm, Dy/Ho, Gd/Tb and Yb/Lu, by means of ion exchange column chromatography, using hydroxyapatite (HAp) and fluorite like absorbent material in complexing media. It is important to mention that have registered separation studies among lanthanides of the heavy group with those of the slight group, using the same mass and, in comparison with this work, quantities different from the father were used and of the son, also, that the separation studies were carried out among neighboring lanthanides. In this investigation, it was determined the effect that its have the complexing media: KSCN, sodium tartrate, sodium citrate, EDTA and aluminon, their pH and concentration, in the adsorption of the lanthanides in both minerals, in order to determine the chromatographic conditions for separation of the couples Nd/Pm, Dy/Ho, Gd/Tb and Yb/Lu. The work consists of five chapters, in the first one they are presented a theoretical introduction of the characteristics more important of the lanthanides, the hydroxyapatite and the fluorite; in the second, it is deepened in the ion exchange, as well as the two techniques (XRD and High Vacuum Electron Microscopy) to make the characterization of LnCI3 (Ln = Nd, Gd, Dy or Yb) synthesized. The third chapter, it describes the methodology continued in our experimental work; in the room, its are presented the obtained results of the static and dynamic method to determine the viability of separation of neighboring lanthanides; and finally, the five chapter shows the conclusions. In this study, it is concludes that the separation among neighboring lanthanides cannot be carried out in the minerals and used media; because practically these lanthanides

  20. An Unprecedented 1D Zigzag Chain Alkaline Earth Metal Derivative {[Ba(DMF)3(H2O)2][Ba(DMF)4]2(P2W18O62)}n Containing Dawson Heteropolyanion

    Institute of Scientific and Technical Information of China (English)

    Jing Ping WANG; Jian Ru MA; Jing Yang NIU

    2006-01-01

    An unprecedented 1D zigzag chain alkaline earth metal derivative, {[Ba(DMF)3(H2O)2][Ba(DMF)4]2(P2W18O62)}n, (DMF=N, N-dimethyl formamide) containing Dawson heteropolyanion has been successfully synthesized and characterized by X-ray crystallography. Two barium cations bridged by three DMF ligands in parallel combination with the Dawson-type heteropolyanion [P2W18O62]6- and then the resulting subunits {[Ba(DMF)4]2(P2W18O62)}2+ are alternately linked together via another [Ba(DMF)3(H2O)2]2+ ions, constructing a 1D zigzag chain architecture.

  1. Quantum mechanical study of molecular collisions at ultra-low energy: applications to alkali and alkaline-earth systems; Etude quantique de collisions moleculaires a ultra-basse energie: applications aux alcalins et alcalino-terreux

    Energy Technology Data Exchange (ETDEWEB)

    Quemener, G

    2006-10-15

    In order to investigate the collisional processes which occur during the formation of molecular Bose-Einstein condensates, a time-independent quantum mechanical formalism, based on hyperspherical coordinates, has been applied to the study of atom-diatom dynamics at ultra-low energies. We present theoretical results for three alkali systems, each composed of lithium, sodium or potassium atoms, and for an alkaline-earth system composed of calcium atoms. We also study dynamics at large and positive atom-atom scattering length. Evidence for the suppression of inelastic processes in a fermionic system is given, as well as a linear relation between the atom-diatom scattering length and the atom-atom scattering length. (author)

  2. Modeling of synthesis of borohydride lanthanides with auto initiations

    International Nuclear Information System (INIS)

    The mechanism of process of synthesis of lanthanide borohydrides interaction of lanthanide chlorides with sodium borohydride was investigated. The formation of dual-lanthanide complex with sodium borohydride was considered. The oscillatory nature of synthesis and initiation role of the lanthanide borohydride was shown. Polynomial for programmed synthesis of lanthanide borohydrides was composed.

  3. Solvent extraction of nitrates of the lanthanides (3) and yttrium (3) by trialkylmethylammonium nitrate from multi-component solutions

    International Nuclear Information System (INIS)

    Extraction of lanthanides (3) and yttrium (3) nitrates from multicomponent solutions by tralkylmethylammonium nitrate at 298.15 K and pH 2 has been considered. Physicochemical and mathematical models describing lanthanide (3) (praseodymium-lutetium) and yttrium (3) distribution in multicomponent solutions, depending on total concentration of rare earth metals ion concentration in aqueous solution and composition of concentrate, are presented. 7 refs., 5 figs., 1 tab

  4. Correlation in the lanthanide series

    International Nuclear Information System (INIS)

    The correlations lgK vs. lgK', V vs. V' (K - stability constant of the complex, V - unit cell volume of compound) within the lanthanide tetrads were reviewed. Ligands with - C = N-group were found to show a positive deviation from the lgK vs. lgK' plot. (Author)

  5. Partitioning of lanthanides and Y between immiscible silicate and fluoride melts, fluorite and cryolite and the origin of the lanthanide tetrad effect in igneous rocks

    OpenAIRE

    Ilya Veksler; A. M. Dorfman; M. B. Kamenetsky; Peter Dulski; D. B. Dingwell;  

    2005-01-01

    Some F-rich granitic rocks show anomalous, nonchondritic ratios of Y/Ho, extreme negative Eu anomalies, and unusual, discontinuous, segmented chondrite-normalised plots of rare earth elements (REE). The effects of F-rich fluids have been proposed as one of the explanations for the geochemical anomalies in the evolved granitic systems, as the stability of nonsilicate complexes of individual rare earths may affect the fluid-melt element partitioning. The lanthanide tetrad effect, related to dif...

  6. Chromatographic separation of lanthanides into two groups based on kinetic differences in the decomposition of macrocycle/lanthanide complexes

    International Nuclear Information System (INIS)

    The separation of the lanthanides in two groups, based on differences in decomplexation rates of the LnDOTA entities (DOTA = 1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid), is achieved on a sulphonate cation-exchange column (H+ form). The yttrium earths, from terbium to lutetium, are eluted first as Ln-DOTA-H species with 1.25 M HCl; the light lanthanides, from lanthanum to samarium inclusive, are eluted as uncomplexed ions at the end of the chromatogram, with more concentrated hydrochloric acid. Given an equimolar mixture of the Eu-DOTA and Gd-DOTA complexes as starting solution, 40% of the gadolinium can be recovered free from europium at the start of elution and 47% of the europium free from gadolinium at the end of the elution. (Auth.)

  7. Biological toxicity of lanthanide elements on algae.

    Science.gov (United States)

    Tai, Peidong; Zhao, Qing; Su, Dan; Li, Peijun; Stagnitti, Frank

    2010-08-01

    The biological toxicity of lanthanides on marine monocellular algae was investigated. The specific objective of this research was to establish the relationship between the abundance in the seawater of lanthanides and their biological toxicities on marine monocellular algae. The results showed that all single lanthanides had similar toxic effects on Skeletonema costatum. High concentrations of lanthanides (29.04+/-0.61 micromol L(-1)) resulted in 50% reduction in growth of algae compared to the controls (0 micromol L(-1)) after 96 h (96 h-EC50). The biological toxicity of 13 lanthanides on marine monocellular algae was unrelated with the abundance of different lanthanide elements in nature, and the "Harkins rule" was not appropriate for the lanthanides. A mixed solution that contained equivalent concentrations of each lanthanide element had the same inhibition effect on algae cells as each individual lanthanide element at the same total concentration. This phenomenon is unique compared to the groups of other elements in the periodic table. Hence, we speculate that the monocellular organisms might not be able to sufficiently differentiate between the almost chemically identical lanthanide elements. PMID:20547408

  8. Efficiency of sulfuric acid leaching of the lanthanides as a function of the quality of phosphosemihydrate prepared from Khibin apatite concentrate

    International Nuclear Information System (INIS)

    The reasons giving rise to decreased extraction of lanthanides during their sulfuric acid leaching from phosphosemihydrate were studied using the methods of elementary analysis. It was ascertained that main losses of lanthanides stem not from formation of low-soluble rare earth fluorides, but from increased content of sodium and potassium soluble compounds, resulting in deposition of rare earth double sulfates and in violation of semihydrate process

  9. LANTHANIDE ENHANCE LUMINESCENCE (LEL) WITH ONE AND TWO PHOTON EXCITATION OF QUANTUM DYES LANTHANIDE (III) - MACROCYCLES

    Science.gov (United States)

    Title: Lanthanide Enhance Luminescence (LEL) with one and two photon excitation of Quantum Dyes? Lanthanide(III)-Macrocycles Principal Author:Robert C. Leif, Newport InstrumentsSecondary Authors:Margie C. Becker, Phoenix Flow Systems Al Bromm, Virginia Commonw...

  10. Magnetism in lanthanide superlattices

    DEFF Research Database (Denmark)

    Goff, J.P.; Sarthour, R.S.; McMorrow, D.F.; Yakhou, F.; Stunault, A.; Ward, R.C.C.; Wells, M.R.

    Neutron diffraction studies of heavy rare-earth superlattices have revealed the stabilization of novel magnetic phases chat are not present in bulk materials. The most striking result is the propagation of the magnetic ordering through nonmagnetic spacer materials. Here we describe some recent X......-ray magnetic resonant scattering studies of light rare-earth superlattices, which illuminate the mechanism of interlayer coupling, and provide access to different areas of Physics. such as the interplay between superconductivity and magnetism. Magnetic X-ray diffraction is found to be particularly well suited...... to the study of the modulated magnetic structures in superlattices, and provides unique information on the conduction-electron spin-density wave responsible for the propagation of magnetic order. (C) 2000 Elsevier Science B.V. All rights reserved....

  11. Magnetism in lanthanide superlattices

    DEFF Research Database (Denmark)

    Goff, J.P.; Sarthour, R.S.; McMorrow, D.F.;

    2000-01-01

    Neutron diffraction studies of heavy rare-earth superlattices have revealed the stabilization of novel magnetic phases chat are not present in bulk materials. The most striking result is the propagation of the magnetic ordering through nonmagnetic spacer materials. Here we describe some recent X......-ray magnetic resonant scattering studies of light rare-earth superlattices, which illuminate the mechanism of interlayer coupling, and provide access to different areas of Physics. such as the interplay between superconductivity and magnetism. Magnetic X-ray diffraction is found to be particularly well suited...... to the study of the modulated magnetic structures in superlattices, and provides unique information on the conduction-electron spin-density wave responsible for the propagation of magnetic order. (C) 2000 Elsevier Science B.V. All rights reserved....

  12. Lanthanide recognition: determination of thulium(III) ions in presence of other rare earth elements by a thulium(III) sensor based on 4-methyl-1,2-Bis(2-Pyridinecarboxamido)benzene as a sensing material

    Energy Technology Data Exchange (ETDEWEB)

    Ganjali, M.R.; Norouzi, P.; Farrokhi, R.; Faridbod, F.; Larijani, B.; Meghdadi, S. [University of Tehran, Tehran (Iran)

    2008-07-01

    In this research, a novel thulium(III) potentiometric membrane sensor based on 4-methyl-1,2-bis(2-pyridinecarboxamido) benzene (MPB) is described. The sensor exhibits a Nernstian response over a concentration range of 1.010-7M to 1.010-1M, with a detection limit of 9.010-8M. The best performance was achieved with a membrane composition of 30% PVC, 60% nitrobenzene (NB), 6% MPB, and 4% sodium tetraphenylborate (NaTPB). It was found that at the pH range of 3.6 to 9.0, the potential response of the sensor was not affected by the pH. Furthermore, the electrode presents satisfactory reproducibility, very fast response time (15s), and relatively good discriminating ability for Tm(III) ions with respect to many common cations and lanthanide ions. The validation of the proposed electrode was tested by using Coal and Fuel Ash (FFA 1 Fly Ash) as a Certified Reference Material (CRM).

  13. Characteristics of Trivalent Lanthanides in Coordination Chemistry

    Institute of Scientific and Technical Information of China (English)

    Xue Dongfeng(薛冬峰); Zuo Sen(左森); Henryk Ratajczak

    2004-01-01

    Some basic characteristics of lanthanide-oxygen bonds in various trivalent lanthanide metal-organic complexes are quantitatively studied by the bond valence model. Some important relationships among the electronegativity, bond valence parameter, bond length and lanthanide coordination number in these complexes are generally found , which show that for each trivalent lanthanide cation all calculated parameters may well be correlated with its coordination number in their coordination complexes. Specifically,32 new data for the bond valence parameter are first calculated in this work.An approximate linear relationship between the Ln-O bond valence parameter and the coordination number of Ln3+ is obtained.The Ln-O bond length increases with the increase in the lanthanide coordination number.The difference of electronegative values decreases with the increase in the lanthanide coordination number.

  14. Conformation of lanthanides complexes of L-serine phosphate and ethanolamine phosphate in aqueous phase

    International Nuclear Information System (INIS)

    NMR paramagnetic shifts induced by rare earth cations lead to conformations of complexes in aqueous solution. A computer treatment is developped for complexes of L-serine phosphate and ethanolamine phosphate with lanthanides in acidic solution (pH=1 to 1.8). Angle and distance values are discussed with a hindered rotation about P-O1 bond

  15. Magnetic molecular materials with paramagnetic lanthanide ions

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The diverse magnetic properties of lanthanide-based magnetic molecular materials are introduced in the following organization.First,the general aspects of magnetic molecular materials and electronic states of lanthanide ions are introduced.Then the structures and magnetic properties are described and analyzed for molecules with one lanthanide ion,4f-4f,4f-3d and 4f-p magnetic coupling interactions.In each section,magnetic coupling,magnetic ordering and magnetic relaxation phenomenon are briefly reviewed using some examples.Finally,some possibilities of developing magnetic molecular materials containing lanthanide ions are discussed in the outlook part.

  16. Biosorption of lanthanides using three kinds of seaweed biomasses

    International Nuclear Information System (INIS)

    In order to evaluate the efficiency of seaweed biomass as sorbent for rare earth elements (REEs), sorption experiment from aqueous solutions containing known amount of lanthanide (La, Eu or Yb) using three kinds of Ca-loaded dried seaweeds (brown algae: Sargassum hemiphyllum, green algae: Ulva pertusa and red algae: Schizymenia dubyi) in single component system was explored. Furthermore, the sorption mechanism of these elements was investigated by applying Langmuir and Freundlich isotherm equations to the data obtained. In addition, to confirm the characteristics of the seaweed biomasses, the surface morphology of the biomass before and after metal adsorption was determined by Scanning Electron Microscope (SEM). Consequently, the following matters have been mainly clarified. (1) The morphology of Sargassum hemiphyllum and Ulva pertusa surface has hardly changed even after exposing to metals. On the other hand, the change of the surface condition on Schizymenia dubyi after adsorption was observed. (2) Adsorption isotherms using the seaweed biomass can be described by Langmuir and Freundlich isotherms satisfactorily for lanthanide. These adsorption may have occurred mainly by monolayer reaction because of better-fitting for Langmuir model. (3) The seaweed biomasses could be an efficient sorbent for REEs. Particularly, Ulva pertusa is found to be a promising biosorbent for removing La. (4) Ion-exchange process is considered to be the main mechanism responsible for the sorption of lanthanide ion onto the seaweed biomass. (author)

  17. Thermoemission properties of barium lanthanides

    International Nuclear Information System (INIS)

    The electron work function of Ba3Ln4O9 compounds in a Ln series from Sm to Ln, Y, Sc is measured by the method of thermoemission. Absence of periodicity in changing PHIsub(ef) is established which is in agreement with monotonous dependence of the other physicochemical properties on the ordinal number of Ln and is explained by the energy penetration of 4f-orbitals of lanthanide during the oxide formation

  18. Enrichment of lanthanides in aragonite

    Institute of Scientific and Technical Information of China (English)

    瞿成利; 路波; 刘刚

    2009-01-01

    Using the constant addition technique,the coprecipitation of lanthanum,gadolinium,and lutetium with aragonite in seawater was experimentally investigated at 25 ℃.Their concentrations in aragonite overgrowths were determined by inductive coupled plasma mass spectrometer.All these lanthanides were strongly enriched in aragonite overgrowths.The amount of lanthanum,gadolinium,and lutetium incorporated into aragonite accounted for 57%-99%,50%-89%,and 40%-91% of their initial total amount,respectively.With the in...

  19. Lanthanide mixed ligand chelates for DNA profiling and latent fingerprint detection

    Science.gov (United States)

    Menzel, E. R.; Allred, Clay

    1997-02-01

    It is our aim to develop a universally applicable latent fingerprint detection method using lanthanide (rare-earth) complexes as a source of luminescence. Use of these lanthanide complexes offers advantages on several fronts, including benefits from large Stokes shifts, long luminescence lifetimes, narrow emissions, ability of sequential assembly of complexes, and chemical variability of the ligands. Proper exploitation of these advantages would lead to a latent fingerprint detection method superior to any currently available. These same characteristics also lend themselves to many of the problems associated with DNA processing in the forensic science context.

  20. Synthesis, characterization and reactivity of some lanthanide organometallics

    International Nuclear Information System (INIS)

    Organo lanthanides with reactive metal-carbon bonds are obtained by direct synthesis of the metal (powder) and a hydrocarbon in ether medium, like with alkali metals. Two types of synthesis are envisaged: formation of covalent bonds by opening cycles, only biphenylene is reactive enough in regard to ytterbium and samarium, these organometallic compounds can also be prepared by the classical way, i.e. reaction of 2.2'-dilithio biphenyl on rare earth halogenides and coupling of 6.6-dimethylfulvene leading to dicyclopentadienyl compounds with Sm and Yb. The reactivity of these complexes is studied by catalysis of ethylene polymerization

  1. Lanthanide Oleates: Chelation, Self-assembly, and Exemplification of Ordered Nanostructured Colloidal Contrast Agents for Medical Imaging

    International Nuclear Information System (INIS)

    Eight lanthanide(III) oleates have been prepared and characterized. The chelation and self-assembly structures of these rare-earth oleates have been studied by elemental analysis, Fourier transfer infrared spectroscopy (FTIR), and X-ray powder diffraction (XRD) analysis. Elemental analysis and FTIR results indicate that three oleate anions are complexed with one lanthanide cation and, with the exception of anhydrous cerium(III) oleate, form either a mono- or a hemihydrate. The X-ray analysis showed that the neat lanthanide soaps have a lamellar bilayer structure at room temperature. The thermal behavior has been investigated by cross-polarized optical microscopy (POM), differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA). POM scans showed that all the lanthanide oleates form a lamellar phase in the presence of excess water. Small-angle X-ray scattering (SAXS) and XRD were used to investigate the internal structure of the bulk lanthanide oleates in excess water, and these X-ray results confirmed that the lanthanide oleates do not swell in water. Select lanthanide oleates were dispersed in water to form nonswelling lamellar submicrometer particles, confirmed by dynamic light scattering (DLS) and synchrotron SAXS measurements. NMR results indicated that colloidal dispersions of lanthanide oleates containing paramagnetic ions, such as gadolinium(III), terbium(III), and dysprosium(III), have a significant effect on the longitudinal (T1) and transverse (T2) relaxation times of protons in water. Time-resolved fluorescence measurements have demonstrated that colloidal dispersions of europium(III) oleate exhibit strong luminescence. The rare earth metal soaps exemplify the potential of self-assembled chelating amphiphiles as contrast agents in medical imaging modalities such as magnetic resonance imaging (MRI) and fluorescence imaging.

  2. A sensitive fluorescent sensor of lanthanide ions

    CERN Document Server

    Bekiari, V; Lianos, P

    2003-01-01

    A fluorescent probe bearing a diazostilbene chromophore and a benzo-15-crown-5 ether moiety is a very efficient sensor of lanthanide ions. The ligand emits strong fluorescence only in the presence of specific ions, namely lanthanide ions, while the emission wavelength is associated with a particular ion providing high sensitivity and resolution.

  3. Effect of high-energy electron irradiation in an electron microscope column on fluorides of alkaline earth elements (CaF2, SrF2, and BaF2)

    International Nuclear Information System (INIS)

    The effect of high-energy (150 eV) electron irradiation in an electron microscope column on crystals of fluorides of alkaline earth elements CaF2, SrF2, and BaF2 is studied. During structural investigations by electron diffraction and electron microscopy, the electron irradiation causes chemical changes in MF2 crystals such as the desorption of fluorine and the accumulation of oxygen in the irradiated area with the formation of oxide MO. The fluorine desorption rate increases significantly when the electron-beam density exceeds the threshold value of ∼2 × 103 pA/cm2). In BaF2 samples, the transformation of BaO into Ba(OH)2 was observed when irradiation stopped. The renewal of irradiation is accompanied by the inverse transformation of Ba(OH)2 into BaO. In the initial stage of irradiation of all MF2 compounds, the oxide phase is in the single-crystal state with a lattice highly matched with the MF2 matrix. When the irradiation dose is increased, the oxide phase passes to the polycrystalline phase. Gaseous products of MF2 destruction (in the form of bubbles several nanometers in diameter) form a rectangular array with a period of ∼20 nm in the sample.

  4. High hydrogen loading of thin palladium wires through alkaline earth carbonates' precipitation on the cathodic surface - evidence of a new phase in the Pd-H system

    Energy Technology Data Exchange (ETDEWEB)

    Celani, F.; Spallone, A.; Di Gioacchino, D. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, Frascati, RM (Italy); Marini, P.; Di Stefano, V.; Nakamura, M. [EURESYS, Rome (Italy); Pace, S. [Salerno Univ., Salerno (Italy). Dept. of Physics, Istituto Nazionale per la Fisica della Materia; Mancini, A. [ORIM S.r.l., Piediripa, MC (Italy); Tripodi, P. [Stanford Research Institut International, Stanford, CA (United States)

    2000-07-01

    A new protocol for the electrolytic loading of hydrogen (H) in thin palladium (Pd) wires has been developed. In order to increase the cathodic overvoltage, which is known to be the main parameter capable to enhance the electrolytic H loading of Pd, the catalytic action of the Pd surface versus H-H recombination has been strongly reduced by precipitation of a thin layer of alkaline-earth carbonates on the cathode. A set of electrolytes has been employed, containing small amounts of hydrochloric or sulfuric acid and strontium or calcium ions. The H loading has been continuously evaluated through ac measurements of the Pd wire resistance. Uncommonly low resistivity values, leading to an estimate of exceptionally high H loading, have been observed. Evidence of the existence of a new phase in the very high H content region of the Pd-H system has been inferred on the basis of the determination of the temperature coefficient of the electrical resistivity. Mainly for this purpose a thin layer of Hg was galvanically deposed on the cathodic surface, in order to prevent any H deloading during the measurements. The results have been fully reproduced in other 2 well equipped and experienced Laboratories (Italy, USA).

  5. Study of conformational and acid-base properties of norbadione A and pulvinic derivatives: Consequences on their complexation properties of alkaline and alkaline earth cations; Etude des proprietes conformationnelles et acido-basiques de la norbadione A et de derives pulviniques: consequences sur leurs proprietes complexantes de cations alcalins et alcalino-terreux

    Energy Technology Data Exchange (ETDEWEB)

    Kuad, P

    2006-01-15

    This work deals with the study of norbadione A, a pigment extracted from mushrooms and known to complex cesium cations. The study of the acid-base properties of norbadione A has allowed to determine the relative acidity of the seven protonable functions of the molecule and to reveal a reversible isomerization of the double exocyclic bond of the pulvinic moieties. The observed change of configuration is induced by a hydrogen bond of the H-O-H type and by electrostatic interactions. Moreover, the microscopic protonation mechanism of the norbadione A has been analyzed, considering three different study media where the acid-base properties of the norbadione A are compared. In the presence of 0.15 mol.l{sup -1} of NaCl, it has been observed a remarkable cooperativity in the protonation of the enol groups. At last, the use of different analytical methods (NMR, potentiometry and calorimetry) has allowed to study the complexing properties of the norbadione A towards cesium and other alkaline and rare earth cations. (O.M.)

  6. Alkaline sorbent injection for mercury control

    Science.gov (United States)

    Madden, Deborah A.; Holmes, Michael J.

    2003-01-01

    A mercury removal system for removing mercury from combustion flue gases is provided in which alkaline sorbents at generally extremely low stoichiometric molar ratios of alkaline earth or an alkali metal to sulfur of less than 1.0 are injected into a power plant system at one or more locations to remove at least between about 40% and 60% of the mercury content from combustion flue gases. Small amounts of alkaline sorbents are injected into the flue gas stream at a relatively low rate. A particulate filter is used to remove mercury-containing particles downstream of each injection point used in the power plant system.

  7. Ligand-assisted capillary electrophoresis separations of the lanthanides

    International Nuclear Information System (INIS)

    Capillary electrophoresis is used with simple organic ligands added to the electrolyte matrix to achieve separation of the individual lanthanide cations. Results for acetate (AC-) and malonate (MA-) yield good resolution for the lighter lanthanides, but not the heavier lanthanides. In contrast, α-hydroxyisobutyrate (HIB-) gives complete resolution for all of the lanthanide cations. These results are related to the complexation chemistry between the lanthanides and the ligands across the lanthanide series. In addition, preliminary results for lanthanide separations using AC- in mixed methanol:water solvent systems are provided. The presence of methanol improves resolution but slows the separation. (author)

  8. Influence of alkali and alkaline earth ions on the -alkylation of the lower rim phenolic-OH groups of -tert-butyl-calix[4]arene to result in amide-pendants: Template action of K+ and the structure of K+ bound tetra-amide derivative crystallized with a -tert-butylcalix[4]arene anion

    Indian Academy of Sciences (India)

    Amjad Ali; Chebrolu P Rao; Philippe Guionneau

    2008-03-01

    Role of alkali and alkaline earth ions on the formation of calix[4]arene-amide derivatives through -alkylation of the lower rim phenolic-OH groups in general and template action of K+ in particular have been explored. Na+ and K+ ions among alkali, and Ca2+ and Sr2+ ions among alkaline earth have shown tetra-amide derivatives bound to metal ion species. Among all these, potassium salts act as template and yields a K+ bound tetra-amide derivative where the charge is counter balanced by a calix[4] arene-monoanion and the product is crystallographically characterized. Change in the amide precursor used in these -alkylation reactions has no effect on the type of the amide derivative formed. Also demonstrated is a direct one-step reaction for the preparation of 1,3-di-amide derivative in high yield and low reaction period using CsHCO3.

  9. ALP (Alkaline Phosphatase) Test

    Science.gov (United States)

    ... Also known as: ALK PHOS; Alkp Formal name: Alkaline Phosphatase Related tests: AST ; ALT ; GGT ; Bilirubin ; Liver Panel ; Bone Markers ; Alkaline Phosphatase Isoenzymes; Bone Specific ALP All content on ...

  10. Lanthanides in the frame of Molecular Magnetism

    Science.gov (United States)

    Gatteschi, D.

    2014-07-01

    Molecular magnetism is producing new types of materials which cover up to date aspects of basic science together with possible applications. This article highlights recent results from the point of view of lanthanides which are now intensively used to produce single molecule magnets, single chain and single ion magnets. After a short introduction reminding the main steps of development of molecular magnetism, the basic properties of lanthanides will be covered highlighting important features which are enhanced by the electronic structure of lanthanides, like spin frustration and chirality, anisotropy and non collinear axes in zero and one dimensional materials. A paragraph of conclusions will discuss what has been done and theperspectives to be expected.

  11. Li2Sr4B12O23: A new alkali and alkaline-earth metal mixed borate with [B10O18]6− network and isolated [B2O5]4− unit

    International Nuclear Information System (INIS)

    A novel ternary lithium strontium borate Li2Sr4B12O23 crystal with size up to 20 mm×10 mm×4 mm has been grown via the top-seeded solution growth method below 730 °C. Single-crystal XRD analyses showed that Li2Sr4B12O23 crystallizes in the monoclinic space group P21/c with a=6.4664(4) Å, b=8.4878(4) Å, c=15.3337(8) Å, β=102.02(3)°, Z=2. The crystal structure is composed of [B10O18]6− network and isolated [B2O5]4− unit. The IR spectrum further confirmed the presence of both BO3 and BO4 groups. TG-DSC and Transmission spectrum were reported. Band structures and density of states were calculated. - Graphical abstract: A new phase, Li2Sr4B12O23, has been discovered in the ternary M2O–M′O–B2O3 (M=alkali-metal, M′=alkalineearth metal) system. The crystal structure consists of [B10O18]6− network and isolated [B2O5]4− unit. Highlights: ► Li2Sr4B12O23 is a a novel borate discovered in the M2O–M′O–B2O3 (M=alkali-metal, M′=alkaline-earth metal) system. ► Li2Sr4B12O23 crystal structure has a three-dimensional crystal structure with [B10O18]6− network and isolated [B2O5]4− unit. ► Sr1 and Sr2 are located in two different channels constructed by 3∞[B10O18] network.

  12. Application of lanthanide ions doped in different glasses

    International Nuclear Information System (INIS)

    The transfer of optical excitation energy from one ion/molecule to another ion/molecule has proved to be of potential importance in industrial application as well as research. Rare earth elements (RE) although not as rare as some of them occur more prevalently then other well known material (e.g. silver, tin, tungsten) are special group of elements of the periodic table comprising lanthanide series (from lanthanum to lutetium) and actinide series (from actinium to lawrencium). Most of the actinides are highly radioactive hence their uses are limited. Fluorescence is the particular optical property of lanthanide (RE) ions. The narrow absorption and emission lines exhibited by the RE ions in crystals, glasses and solutions have always made these ions attractive as sensitive probes of solids and liquid state and also makes them useful in laser technology, CRT displays, UV to visible converters and optical communications etc. In recent years there has been a special interest to study the properties and applications of rare earth doped in glasses. Lanthanide ions in glasses play an important role, especially by retaining their emission capabilities, in the host matrix. Glass as a dielectric material plays an important role in science and industry. Its chemical, physical and particular optical properties make it suitable for applications such as opto-electronic materials, laboratory equipment, laser gain media, etc. Photoluminescence from rare earth doped glasses are of major interest in the research area of optoelectronic device applications like phosphors, display monitors, lasers and amplifiers for communication systems. Now a days, development of optical devices based on rare-earth ions doped materials is one of the interesting fields of research. Rare earth doped glasses are widely used as laser materials, optical amplifiers, optical memory devices, magneto-optical devices, medical lasers, eye safe lasers, flat panel displays, fluorescent lamps, white LED's etc

  13. Luminescent lanthanide chelates and methods of use

    Energy Technology Data Exchange (ETDEWEB)

    Selvin, Paul R. (Berkeley, CA); Hearst, John (Berkeley, CA)

    1997-01-01

    The invention provides lanthanide chelates capable of intense luminescence. The celates comprise a lanthanide chelator covalently joined to a coumarin-like or quinolone-like sensitizer. Exemplary sensitzers include 2- or 4-quinolones, 2- or 4-coumarins, or derivatives thereof e.g. carbostyril 124 (7-amino-4-methyl-2-quinolone), coumarin 120 (7-amino-4-methyl-2-coumarin), coumarin 124 (7-amino-4-(trifluoromethyl)-2-coumarin), aminomethyltrimethylpsoralen, etc. The chelates form high affinity complexes with lanthanides, such as terbium or europium, through chelator groups, such as DTPA. The chelates may be coupled to a wide variety of compounds to create specific labels, probes, diagnostic and/or therapeutic reagents, etc. The chelates find particular use in resonance energy transfer between chelate-lanthanide complexes and another luminescent agent, often a fluorescent non-metal based resonance energy acceptor. The methods provide useful information about the structure, conformation, relative location and/or interactions of macromolecules.

  14. Higher order atomic effects in the lanthanides

    International Nuclear Information System (INIS)

    Laser induced fluorescence spectroscopy, Doppler-free two-photon spectroscopy, inter modulated optogalvanic spectroscopy, Doppler-free saturation absorption spectroscopy and improvements of these methods in respect of the different properties of the lanthanides are presented in detail

  15. RARE EARTH ELEMENTS: A REVIEW OF PRODUCTION, PROCESSING, RECYCLING, AND ASSOCIATED ENVIRONMENTAL ISSUES

    Science.gov (United States)

    Rare earth elements (REEs) are a group of 15 chemical elements in the periodic table, specifically the lanthanides. Two other elements, scandium and yttrium, have a similar physiochemistry to the lanthanides, are commonly found in the same mineral assemblages, and are often refe...

  16. Alkaline earth stannates: The next silicon?

    Energy Technology Data Exchange (ETDEWEB)

    Ismail-Beigi, Sohrab, E-mail: sohrab.ismail-beigi@yale.edu; Ahn, Charles H. [Department of Applied Physics, Yale University, New Haven, Connecticut 06520 (United States); Department of Physics, Yale University, New Haven, Connecticut 06520 (United States); Department of Mechanical Engineering and Materials Science, Yale University, New Haven, Connecticut 06520 (United States); Center for Research on Interface Structure and Phenomena, Yale University, New Haven, Connecticut 06520 (United States); Walker, Frederick J. [Department of Applied Physics, Yale University, New Haven, Connecticut 06520 (United States); Center for Research on Interface Structure and Phenomena, Yale University, New Haven, Connecticut 06520 (United States); Cheong, Sang-Wook [Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854 (United States); Rutgers Center for Emergent Materials, Rutgers University, Piscataway, New Jersey 08854 (United States); Rabe, Karin M. [Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854 (United States)

    2015-06-01

    Semiconductor materials are being used in an increasingly diverse array of applications, with new device concepts being proposed each year for solar cells, flat-panel displays, sensors, memory, and spin transport. This rapid progress of invention outpaces the development of new semiconductor materials with the required properties and performance. In many applications, high carrier mobility at room temperature is required in addition to specific functional properties critical to the device concept. We review recent developments on high mobility stannate perovskite oxide materials and devices.

  17. Alkaline earth stannates: The next silicon?

    Directory of Open Access Journals (Sweden)

    Sohrab Ismail-Beigi

    2015-06-01

    Full Text Available Semiconductor materials are being used in an increasingly diverse array of applications, with new device concepts being proposed each year for solar cells, flat-panel displays, sensors, memory, and spin transport. This rapid progress of invention outpaces the development of new semiconductor materials with the required properties and performance. In many applications, high carrier mobility at room temperature is required in addition to specific functional properties critical to the device concept. We review recent developments on high mobility stannate perovskite oxide materials and devices.

  18. Alkaline earth stannates: The next silicon?

    International Nuclear Information System (INIS)

    Semiconductor materials are being used in an increasingly diverse array of applications, with new device concepts being proposed each year for solar cells, flat-panel displays, sensors, memory, and spin transport. This rapid progress of invention outpaces the development of new semiconductor materials with the required properties and performance. In many applications, high carrier mobility at room temperature is required in addition to specific functional properties critical to the device concept. We review recent developments on high mobility stannate perovskite oxide materials and devices

  19. Alkaline earth stannates: The next silicon?

    OpenAIRE

    Sohrab Ismail-Beigi; Walker, Frederick J.; Sang-Wook Cheong; Rabe, Karin M.; Ahn, Charles H.

    2015-01-01

    Semiconductor materials are being used in an increasingly diverse array of applications, with new device concepts being proposed each year for solar cells, flat-panel displays, sensors, memory, and spin transport. This rapid progress of invention outpaces the development of new semiconductor materials with the required properties and performance. In many applications, high carrier mobility at room temperature is required in addition to specific functional properties critical to the device con...

  20. Positron elastic scattering from alkaline earth targets

    Science.gov (United States)

    Poveda, Luis A.; Assafrão, Denise; Mohallem, José R.

    2016-07-01

    A previously reported model potential approach [Poveda et al., Phys. Rev. A 87, 052702 (2013)] was extended to study low energy positron elastic scattering from beryllium and magnesium. The cross sections were computed for energies ranging from 10-5 eV up to well above the positronium formation threshold. The present results are in good agreement with previous reports, including the prediction of a p-wave resonance in the cross section for magnesium. The emergence of this shape resonance is connected to a trend observed in the evolution of the partial wave cross section in going from Be to Mg target. This trend lead us to speculate that a sharp d-wave resonance should be observed in positron elastic scattering from calcium. The positron-target binding energies are investigated in detail, both using the scattering information and by direct computation of the bound state energies using the model potentials. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.Supplementary material in the form of one pdf file available from the Journal web page at http://dx.doi.org/10.1140/epjd/e2016-70120-y

  1. Lanthanides in the frame of Molecular Magnetism

    OpenAIRE

    Gatteschi D

    2014-01-01

    Molecular magnetism is producing new types of materials which cover up to date aspects of basic science together with possible applications. This article highlights recent results from the point of view of lanthanides which are now intensively used to produce single molecule magnets, single chain and single ion magnets. After a short introduction reminding the main steps of development of molecular magnetism, the basic properties of lanthanides will be covered highlighting important features ...

  2. Lanthanides and actinides in ionic liquids

    OpenAIRE

    Binnemans, Koen

    2007-01-01

    This lecture gives an overview of the research possibilities offered by combining f-elements (lanthanides and actinides) with ionic liquids [1] Many ionic liquids are solvents with weakly coordinating anions. Solvation of lanthanide and actinide ions in these solvents is different from what is observed in conventional organic solvents and water. The poorly solvating behavior can also lead to the formation of coordination compounds with low coordination numbers. The solvation of f-elements can...

  3. Octupole effects in the lanthanides

    International Nuclear Information System (INIS)

    Arrays of Anti-Compton Spectrometer enabled systematic investigations of octupole correlations in the neutron-rich lanthanides. The studies mostly confirm the theoretical expectations of moderate octupole deformation at medium spins in nuclei from this region but in some cases predictions deviate from the experiment. In cesium isotopes strong octupole effects are predicted but not observed and new measurements for 139Xe suggest octupole effects stronger than expected. Systematics of excitation energy of the 31 states excitations, updated in the present work for Xe isotopes, indicates the N=85 and Z=54 lines as borders for strong octupole correlations. Systematic of electric dipole moment, upgraded in the present work for Ca and Ce isotopes confirms the Z=54 limit and adds new information about local canceling of electric dipole moment at the N=90 neutron number

  4. Chemical composition of modern and fossil Hippopotamid teeth and implications for paleoenvironmental reconstructions and enamel formation – Part 2: Alkaline earth elements as tracers of watershed hydrochemistry and provenance

    Directory of Open Access Journals (Sweden)

    I. Ssemmanda

    2012-03-01

    Full Text Available For reconstructing environmental change in terrestrial realms the geochemistry of fossil bioapatite in bones and teeth is among the most promising applications. This study demonstrates that alkaline earth elements in enamel of Hippopotamids, in particular Ba and Sr are tracers for water provenance and hydrochemistry. The studied specimens are molar teeth from Hippopotamids found in modern and fossil lacustrine settings of the Western Branch of the East African Rift system (Lake Kikorongo, Lake Albert, and Lake Malawi and from modern fluvial environments of the Nile River. Concentrations in enamel vary by ca. two orders of magnitude for Ba (120–9336 μg g−1 as well as for Sr (9–2150 μg g−1. Concentration variations in enamel are partly induced during post-mortem alteration and during amelogenesis, but the major contribution originates from the variable water chemistry in the habitats of the Hippopotamids which is dominated by the lithologies and weathering processes in the watershed areas. Amelogenesis causes a distinct distribution of Ba and Sr in modern and fossil enamel, in that element concentrations increase along profiles from the outer rim towards the enamel-dentin junction by a factor of 1.3–1.5. These elements are well correlated with MgO and Na2O in single specimens, thus suggesting that their distribution is determined by a common, single process. Presuming that the shape of the tooth is established at the end of the secretion process and apatite composition is in equilibrium with the enamel fluid, the maturation process can be modeled by closed system Rayleigh crystallization. Enamel from many Hippopotamid specimens has Sr/Ca and Ba/Ca which are typical for herbivores, but the compositions extend well into the levels of plants and carnivores. Within enamel from single specimens these element ratios covary and provide a specific fingerprint of the Hippopotamid habitat. All specimens together, however, define subparallel

  5. Complexation of calyx[4]resorcinarene with bis(phenanthroline)lanthanide complexes in water-organic media

    International Nuclear Information System (INIS)

    The guest-host type complexing constants of calyx[4]resorcinarene (H8L) with [Ln(Phen)2]3+ cations (Phen - 1, 10-phenanthroline, Ln=La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) in neutral and low-alkaline water-organic (dimethylsulfoxide, isopropanol) media have been ascertained by the method of pH-metric titration. Essential increase in the complexes stability with their ordinal number increase from La3+ to Ho3+ in lanthanide series has been detected

  6. Novel Lipophilic Lanthanide Bis-Phthalocyanines Functionalized by Pentadecylphenoxy Groups: Synthesis, Characterization and UV-Photostability

    OpenAIRE

    Ermelinda Bloise; Roberta del Sole; Giuseppe Mele; Maria Hofer; Gabriela Dyrda; Rudolf Słota

    2012-01-01

    Novel sandwich-type phthalocyanines containing a rare earth metal core (Pr, Nd, Eu–Lu) and macrocycles peripherally substituted by pentadecylphenoxy groups were synthesized using a cardanol-based phthalonitrile precursor and the respective lanthanide acetate. Additionally, the metal free-base analog compound was studied for comparison. The purified reaction products were all found to be thick and viscous substances at room temperature, showing liquid crystalline behavior with a distinct incre...

  7. Lanthanide humic substances complexation. I. Experimental evidence for a lanthanide contraction effect

    Science.gov (United States)

    Sonke, Jeroen E.; Salters, Vincent J. M.

    2006-03-01

    The interaction of the lanthanides (Ln) with humic substances (HS) was investigated with a novel chemical speciation tool, Capillary Electrophoresis-Inductively Coupled Plasma Mass Spectrometry (CE-ICP-MS). By using an EDTA-ligand competition method, a bi-modal species distribution of LnEDTA and LnHS is attained, separated by CE, and detected online by sector field ICP-MS. We quantified the binding of all 14 rare earth elements (REEs), Sc and Y with Suwannee river fulvic acid, Leonardite coal humic acid, and Elliot soil humic acid under environmental conditions (pH 6-9, 0.001-0.1 mol L -1 NaNO 3, 1-1000 nmol L -1 Ln, 10-20 mg L -1 HS). Conditional binding constants for REE-HS interaction ( Kc) ranged from 8.9 acids, we suggest that HS form a range of tri- to tetra-dentate complexes under environmental conditions. These results confirm HS to be a strong complexing agent for Ln, and show rigorous experimental evidence for potential REE fractionation by HS complexation.

  8. Study on preparation and characterization of MOF based lanthanide doped luminescent coordination polymers

    International Nuclear Information System (INIS)

    Coordination polymers (metal–organic frameworks or MOFs) offer the opportunity for fine-tuning the luminescence behavior because of the possibility to entrap in the network pores molecules that can influence the lanthanide (Ln) emission. In this study, Zn (II) and polycarboxylate based MOFs were first pre-formed by solvothermal method, then considered as host-matrix for in situ doping of low-input concentration of Eu3+ and Tb3+ (two most commonly used lanthanides in life science assays), and afterwards lanthanide doped luminescent materials were synthesized. Different characterizations (X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Energy-Dispersive Spectroscopy (EDS)) were carried out to confirm accordingly MOF's crystallinity, the structure and chemical composition. The study on luminescent properties of the material has revealed an efficient energy transfer from the ligand excited states to the Eu3+ and Tb3+ f-excited states. With quite low input concentrations (8–15%) of doped rare earth ions, these complexes displayed intense emissions at room temperature and proved to be good candidates for red and green emitter luminescent materials. Generally, this design concept can be extended for the preparation of other rare earth coordination polymers. - Highlights: • Synthesis of luminescent materials MOF-5/RE (RE = Eu, Tb) by solvothermal method with in situ doping of Eu3+ and Tb3+. • MOF-5/RE with ordered structure gives strong luminescence spectra. • The design concept can be extended for the preparation of other rare earth coordination polymers

  9. Decomposition kinetics of alkaline earth carbonates by integral approximation method Cinética de decomposição de carbonatos de terra alcalina pelo método de aproximação integral

    Directory of Open Access Journals (Sweden)

    S. Maitra

    2008-09-01

    Full Text Available The decomposition kinetics of four synthetic alkaline earth metal carbonates (MgCO3, CaCO3, SrCO3 and BaCO3 was studied under non-isothermal conditions from thermo-gravimetric measurements as compared to. The integral approximation method of Coats and Redfern was used to determine the kinetic parameters for the decomposition processes. The decomposition reactions followed mostly first order kinetics and the activation energy of the decomposition reactions increased with the increase in the molecular mass of the carbonates. The change in enthalpy for the decomposition processes was also calculated and compared with the activation energies for the decomposition processes. The activation energy of the decomposition process for all the carbonates was higher than the enthalpy of the reaction excepting SrCO3.A cinética de decomposição de quatro carbonatos sintéticos de metais de terra alcalina (MgCO3, CaCO3, SrCO3 e BaCO3 foi estudada sob condições não isotérmicas por meio de medidas de termogravimétricas e feita sua comparação. O método de aproximação integral de Coats e Redfern foi usado para determinar os parâmetros cinéticos dos processos de decomposição. As reações de decomposição seguiram principalmente cinética de primeira ordem e a energia de ativação para as reações de decomposição aumentou com o aumento da massa molecular dos carbonatos. A variação na entalpia para os processos de decomposição foi também calculada e comparada com as energias de ativação. A energia de ativação dos processos de decomposição de todos os carbonatos foi maior que a entalpia da reação excepto para SrCO3.

  10. Thermochemical properties of two mixed alkali-alkaline earth metal borates as non-linear optical materials: NaSrBO3 and KSr4B3O9

    International Nuclear Information System (INIS)

    Highlights: • NaSrBO3 and KSr4B3O9 have been synthesized and characterized. • The enthalpies of solution of title two borates in 1 mol · dm−3 HCl(aq) were measured. • The enthalpies of solution of NaCl(s) in [HCl + H3BO3 + Sr(OH)2 · 8H2O](aq) were measured. • ΔfHmo for title borates were obtained from measured enthalpies of solution. -- Abstract: Two mixed alkali-alkaline earth metal borates of NaSrBO3 and KSr4B3O9 have been synthesized by high-temperature solid state reaction, which were further characterized by XRD, FT-IR, DTA-TG techniques and chemical analysis. The molar enthalpies of solution of NaSrBO3(s) and KSr4B3O9(s) in 2.00 cm3 of 1 mol · dm−3 HCl(aq), at T = 298.15 K were measured to be −(206.84 ± 0.43) kJ · mol−1 and −(494.59 ± 0.53) kJ · mol−1, respectively. The molar enthalpy of solution of NaCl(s) in 2.00 cm3 of {1 mol · dm−3 HCl + H3BO3 + Sr(OH)2 · 8H2O}(aq) mixed solvent at T = 298.15 K was measured to be (5.17 ± 0.02) kJ · mol−1. From these data and with the incorporation of the previously determined enthalpies of solution of H3BO3(s) in HCl(aq) of Sr(OH)2 · 8H2O(s) in (HCl + H3BO3)(aq), and of KCl(s) in {HCl + H3BO3 + Sr(OH)2 · 8H2O}(aq), together with the use of the molar enthalpies of formation for NaCl(s)/KCl(s), Sr(OH)2 · 8H2O(s), H3BO3(s), HCl(aq) and H2O(l), the standard molar enthalpies of formation of NaSrBO3(s) and KSr4B3O9 were calculated to be −(1653.1 ± 1.4) kJ · mol−1 and −(5071.1 ± 3.4) kJ · mol−1 on the basis of the designed thermochemical cycles, respectively

  11. New Lanthanide Alkynylamidinates and Diiminophosphinates

    Directory of Open Access Journals (Sweden)

    Farid M. Sroor

    2015-11-01

    Full Text Available This contribution reports the synthesis and structural characterization of several new lithium and lanthanide alkynylamidinate complexes. Treatment of PhC≡CLi with N,N′-diorganocarbodiimides, R–N=C=N–R (R = iPr, Cy (cyclohexyl, in THF or diethyl ether solution afforded the lithium-propiolamidinates Li[Ph–C≡C–C(NCy2] S (1: R = iPr, S = THF; 2: R = Cy, S = THF; 3: R = Cy, S = Et2O. Single-crystal X-ray diffraction studies of 1 and 2 showed the presence of typical ladder-type dimeric structures in the solid state. Reactions of anhydrous LnCl3 (Ln = Ce, Nd, Sm or Ho with 2 in a 1:3 molar ratio in THF afforded a series of new homoleptic lanthanide tris(propiolamidinate complexes, [Ph–C≡C–C(NCy2]3Ln (4: Ln = Ce; 5: Ln = Nd; 6: Ln = Sm; 7: Ln = Ho. The products were isolated in moderate to high yields (61%–89% as brightly colored, crystalline solids. The chloro-functional neodymium(III bis(cyclopropylethynylamidinate complex [{c-C3H5–C≡C–C(NiPr2}2Ln(µ-Cl(THF]2 (8 was prepared from NdCl3 and two equiv. of Li[c-C3H5–C≡C–C(NiPr2] in THF and structurally characterized. A new monomeric Ce(III-diiminophosphinate complex, [Ph2P(NSiMe32]2Ce(µ-Cl2Li(THF2 (9, has also been synthesized in a similar manner from CeCl3 and two equiv. of Li[Ph2P(NSiMe32]. Structurally, this complex resembles the well-known “ate” complexes (C5Me52Ln(µ-Cl2Li(THF2. Attempts to oxidize compound 9 using trityl chloride or phenyliodine(III dichloride did not lead to an isolable cerium(IV species.

  12. Anodes for alkaline electrolysis

    Science.gov (United States)

    Soloveichik, Grigorii Lev

    2011-02-01

    A method of making an anode for alkaline electrolysis cells includes adsorption of precursor material on a carbonaceous material, conversion of the precursor material to hydroxide form and conversion of precursor material from hydroxide form to oxy-hydroxide form within the alkaline electrolysis cell.

  13. Alkaline "Permanent" Paper.

    Science.gov (United States)

    Pacey, Antony

    1991-01-01

    Discussion of paper manufacturing processes and their effects on library materials focuses on the promotion of alkaline "permanent" paper, with less acid, by Canadian library preservation specialists. Standards for paper acidity are explained; advantages of alkaline paper are described, including decreased manufacturing costs; and recyclability is…

  14. Lanthanides in the frame of Molecular Magnetism

    Directory of Open Access Journals (Sweden)

    Gatteschi D.

    2014-07-01

    Full Text Available Molecular magnetism is producing new types of materials which cover up to date aspects of basic science together with possible applications. This article highlights recent results from the point of view of lanthanides which are now intensively used to produce single molecule magnets, single chain and single ion magnets. After a short introduction reminding the main steps of development of molecular magnetism, the basic properties of lanthanides will be covered highlighting important features which are enhanced by the electronic structure of lanthanides, like spin frustration and chirality, anisotropy and non collinear axes in zero and one dimensional materials. A paragraph of conclusions will discuss what has been done and theperspectives to be expected.

  15. Lanthanide luminescence. Photophysical, analytical and biological aspects

    Energy Technology Data Exchange (ETDEWEB)

    Haenninen, Pekka; Haermae, Harri (eds.) [Turku Univ. (Finland). Dept. of Cell Biology and Anatomy

    2011-07-01

    Lanthanides have fascinated scientists for more than two centuries now, and since efficient separation techniques were established roughly 50 years ago, they have increasingly found their way into industrial exploitation and our everyday lives. Numerous applications are based on their unique luminescent properties, which are highlighted in this volume. It presents established knowledge about the photophysical basics, relevant lanthanide probes or materials, and describes instrumentation-related aspects including chemical and physical sensors. The uses of lanthanides in bioanalysis and medicine are outlined, such as assays for in vitro diagnostics and research. All chapters were compiled by renowned scientists with a broad audience in mind, providing both beginners in the field and advanced researchers with comprehensive information on on the given subject. (orig.)

  16. Curvature of the Lanthanide Contraction: An Explanation

    Energy Technology Data Exchange (ETDEWEB)

    Raymond, Kenneth; Wellman, Daniel; Sgarlata, Carmelo; Hill, Aru

    2009-12-21

    A number of studies have shown that for isostructural series of the lanthanides (elements La through Lu), a plot of equivalent metal-ligand bond lengths versus atomic number differs significantly from linearity and can be better fit as a quadratic equation. However, for hydrogen type wave functions, it is the inverse of the average distance of the electron from the nucleus (an estimate of size) that varies linearly with effective nuclear charge. This generates an apparent quadratic dependence of radius with atomic number. Plotting the inverse of lanthanide ion radii (the observed distance minus the ligand size) as a function of effective nuclear charge gives very good linear fits for a variety of lanthanide complexes and materials. Parameters obtained from this fit are in excellent agreement with the calculated Slater shielding constant, k.

  17. Optimization of the radio lanthanides separation device

    International Nuclear Information System (INIS)

    At present, cancer is a major cause of mortality in our country, therefore, its prevention, diagnosis and treatment are vital to health systems. The cancer treatment and other diseases, from monoclonal antibodies, peptides, or amino macro aggregates marked with beta particle emitting radionuclides, is a highly promising field. The radioactive lanthanides: Pm, Tb, Ho, and Lu are beta emitters, which possess nuclear and chemical properties, which have shown their feasibility as radioisotopes of radiotherapeutic use. However, these radioisotopes are not available commercially in this connection, the Research Laboratory of Radioactive Materials of the National Institute of Nuclear Research, has developed the methodology of production of these radioisotopes and based on this work is designed, constructed and installed the radio lanthanides separation device for the radioisotopes production routinely. This device is part of the cell, , which has and auxiliary air service, an extraction system and is protected with a 10 cm of lead shielding. The radio lanthanides separation device is manual and easy to handle. The main function of this equipment is the radio lanthanides separation from extractive chromatography through packed columns with a commercial resin (Ln SPS) and coated on the top and bottom by fiberglass. The radio lanthanides separation device comprises a main carrousel where the separation columns and elution containers are mounted. It also has a system of open irradiation vials, carrier samples for columns and glassware. This paper presents a detailed description of the radio lanthanides separation device and its management, which allows the radioisotopes production Pm, Tb, Ho, and Lu from the separation of its parents Nd, Dy, Gd, and Yb respectively. (Author)

  18. Liquid-solid phase extraction of rare earth chlorides by oil sulfoxides

    International Nuclear Information System (INIS)

    Liquid - solid phase extraction of rare earth chlorides by oil sulfoxides is studied. It is determined that during extraction of anhydrous rare earth chlorides organic phase is enriched by heavy lanthanides. During extraction of crystal hydrates (H2O:M>5) it enriched by light lanthanides and separation factor increases with temperature growth. It is pointed out that solvent nature does not offer essential effect on isolation of chlorides of d- and f-elements during liquid - solid phase extraction

  19. Shear viscosity coefficient of liquid lanthanides

    International Nuclear Information System (INIS)

    Present paper deals with the computation of shear viscosity coefficient (η) of liquid lanthanides. The effective pair potential v(r) is calculated through our newly constructed model potential. The Pair distribution function g(r) is calculated from PYHS reference system. To see the influence of local field correction function, Hartree (H), Tailor (T) and Sarkar et al (S) local field correction function are used. Present results are compared with available experimental as well as theoretical data. Lastly, we found that our newly constructed model potential successfully explains the shear viscosity coefficient (η) of liquid lanthanides

  20. Method bacterial endospore quantification using lanthanide dipicolinate luminescence

    Science.gov (United States)

    Ponce, Adrian (Inventor); Venkateswaran, Kasthuri J. (Inventor); Kirby, James Patrick (Inventor)

    2007-01-01

    A lanthanide is combined with a medium to be tested for endospores. The dipicolinic acid released from the endospores binds the lanthanides, which have distinctive emission (i.e., luminescence) spectra, and are detected using photoluminescence. The concentration of spores is determined by preparing a calibration curve generated from photoluminescence spectra of lanthanide complex mixed with spores of a known concentration. A lanthanide complex is used as the analysis reagent, and is comprised of lanthanide ions bound to multidentate ligands that increase the dipicolinic acid binding constant through a cooperative binding effect with respect to lanthanide chloride. The resulting combined effect of increasing the binding constant and eliminating coordinated water and multiple equilibria increase the sensitivity of the endospore assay by an estimated three to four orders of magnitude over prior art of endospore detection based on lanthanide luminescence.

  1. The geochemistry and mobility of the lanthanides in marine sediments

    International Nuclear Information System (INIS)

    A study has been made to evaluate lanthanide mobility in sediments directly by measuring concentrations of 10 lanthanide elements in sediments and pore waters. Due to the very low concentrations of the lanthanides in sea water relative to marine sediments, evidence of lanthanide mobilization is usually difficult to detect from studies of solid-phase geochemistry. Results show that the lanthanides can be extremely mobile. Concentrations in pore waters up to 100 times sea water concentrations have been measured. The conclusions are tentative but the present data suggest that the lanthanides are mobilized during oxidation of organic-rich sediments and are relocated in part in association with secondary Fe-rich phases. The behaviour of Ce is, predictably, somewhat different from the other lanthanides and may be more mobile as a consequence of its redox chemistry. (author)

  2. Inlfuence of Mixed Alkali-Alkaline Earth Effect on Alkali Resistance of Medium Temperature Fritted Glaze%混合碱/碱土金属效应对中温熔块釉耐碱性的影响

    Institute of Scientific and Technical Information of China (English)

    秦立邦; 卢希龙; 曹春娥; 陈云霞; 沈华荣; 黄钢

    2014-01-01

    In order to improve the alkali resistance of medium temperature fritted glaze, a large number of experiments were carried out to get a better base fritted glaze. Then, inlfuence of mixed alkali metal effect and mixed alkaline earth metal effect on alkali resistance of the glaze was studied. Results show that mixed alkali effect existed in two alkali metal oxides-Li2O and Na2O. When the Li+/Na+molar ratio was equal to 1, the frit had the best alkali resistance. Calcium oxide had obvious suppression effect on alkali metal oxides. When the CaO/(Li2O+Na2O) molar ratio was equal to 1.22, the frit had the best alkali resistance. For binary mixed alkali metal oxides, when both the molar ratios of CaO/BaO and CaO/MgO were equal to 8.2, the frit had the best alkali resistance, but BaO worked better than MgO. For ternary mixed alkali metal oxides, when the molar ratio of CaO:MgO:BaO was equal to 14:3.3:1, both the frit and fritted glaze had the best alkali resistance.%为了提高中温熔块釉的耐碱性,通过大量实验得到较好的基础熔块釉组成,在此基础上,探讨混合碱金属效应、混合碱土金属效应对熔块耐碱性的影响。结果表明:Li2O和Na2O两种碱金属氧化物存在“混合碱金属效应”,其摩尔比为1时,熔块耐碱性最佳。氧化钙对碱金属(Li2O+Na2O)的压制效应明显,当CaO/(Li2O+Na2O)为1.22时,熔块耐碱性最好。二元碱土金属混合时,CaO/BaO、CaO/MgO摩尔比均为8.2时耐碱性最好,但BaO的效果要大于MgO;三元碱土混合中, CaO∶MgO∶BaO摩尔比为14∶3.3∶1时,熔块耐碱性最高,且此时釉的耐碱性也最强。

  3. Upconversion studies in rare earth ions-doped lanthanide materials

    Indian Academy of Sciences (India)

    A K Singh; K Kumar; S B Rai

    2014-02-01

    In the present work, results of upconversion emission in various powder samples have been discussed. The powder upconversion phosphors such as La2O3:Er3+/Yb3+, LaF3:Er3+/Yb3+, CeO2 :Er3+/Yb3+, CeF3:Er3+/Yb3+ were prepared and their upconversion emission, using 976 nm wavelength excitation, was investigated in depth. These phosphors have shown good upconversion emission in the visible region except for the CeF3:Er3+/Yb3+ phosphor. Two intense bands around 525 and 550 nm due to the 2H11/2 → 4I15/2 and 4S3/2 → 4I15/2 transitions, respectively, are found to be in a thermally coupled state in these samples. The intensity ratio of these two bands permitted us to estimate the temperature of the environment. The pump power studies of the emission bands of these samples are also made to understand the dynamics of the upconversion emission.

  4. Alkaline battery operational methodology

    Energy Technology Data Exchange (ETDEWEB)

    Sholklapper, Tal; Gallaway, Joshua; Steingart, Daniel; Ingale, Nilesh; Nyce, Michael

    2016-08-16

    Methods of using specific operational charge and discharge parameters to extend the life of alkaline batteries are disclosed. The methods can be used with any commercial primary or secondary alkaline battery, as well as with newer alkaline battery designs, including batteries with flowing electrolyte. The methods include cycling batteries within a narrow operating voltage window, with minimum and maximum cut-off voltages that are set based on battery characteristics and environmental conditions. The narrow voltage window decreases available capacity but allows the batteries to be cycled for hundreds or thousands of times.

  5. Largescale Preparation of Organic-Dispersible Lanthanide Fluorides Nanocrystals via Colloid-Extraction Route

    Institute of Scientific and Technical Information of China (English)

    Zhao Weiwan; Zhang Shengmao; He Benfang; Wu Zhishen; Zhang Zhijun

    2007-01-01

    Organic-dispersible lanthanide fluorides nanocrystals were synthesized at a large Scale using colloid-extraction method, in the presence of dialkyl-dithiophosphinic acid (DDPA) as the extraction agent. The products were characterized by means of X-ray powder diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and Fourier transformation infrared (FTIR) spectroscopy. It was found that the synthesized lanthanide fluorides nanoparticles had high purity and crystallinity, and could be well dispersed in organic solvents such as chloroform, toluene etc., which could be closely related to the surface-capping of the nanocrystals by the DDPA molecules. Moreover, the nanocrystals before and after extraction by DDPA showed few differences in the microscopic morphologies. It was implied that DDPA as the extraction agent had good protection to the nanocrystals as well, which could be essential to the commercial application of the titled rare earth nanocrystals as novel multifunctional additives in the fields of lubrication.

  6. Uranium in alkaline rocks

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, M.; Wollenberg, H.; Strisower, B.; Bowman, H.; Flexser, S.; Carmichael, I.

    1978-04-01

    Geologic and geochemical criteria were developed for the occurrence of economic uranium deposits in alkaline igneous rocks. A literature search, a limited chemical analytical program, and visits to three prominent alkaline-rock localities (Ilimaussaq, Greenland; Pocos de Caldas, Brazil; and Powderhorn, Colorado) were made to establish criteria to determine if a site had some uranium resource potential. From the literature, four alkaline-intrusive occurrences of differing character were identified as type-localities for uranium mineralization, and the important aspects of these localities were described. These characteristics were used to categorize and evaluate U.S. occurrences. The literature search disclosed 69 U.S. sites, encompassing nepheline syenite, alkaline granite, and carbonatite. It was possible to compare two-thirds of these sites to the type localities. A ranking system identified ten of the sites as most likely to have uranium resource potential.

  7. Uranium in alkaline rocks

    International Nuclear Information System (INIS)

    Geologic and geochemical criteria were developed for the occurrence of economic uranium deposits in alkaline igneous rocks. A literature search, a limited chemical analytical program, and visits to three prominent alkaline-rock localities (Ilimaussaq, Greenland; Pocos de Caldas, Brazil; and Powderhorn, Colorado) were made to establish criteria to determine if a site had some uranium resource potential. From the literature, four alkaline-intrusive occurrences of differing character were identified as type-localities for uranium mineralization, and the important aspects of these localities were described. These characteristics were used to categorize and evaluate U.S. occurrences. The literature search disclosed 69 U.S. sites, encompassing nepheline syenite, alkaline granite, and carbonatite. It was possible to compare two-thirds of these sites to the type localities. A ranking system identified ten of the sites as most likely to have uranium resource potential

  8. Structural and thermodynamic study of rare earth(III) complexation by poly-hydroxylated carboxylic acids: synthesis of new extractants and outlook for the extraction of these cations; Etude structurale et thermodynamique de la complexation de lanthanides (III) par des acides carboxyliques polyhydroxyles: synthese de nouveaux extractants et perspectives pour l'extraction de ces cations

    Energy Technology Data Exchange (ETDEWEB)

    Aury, S

    2002-12-15

    The aim of this work is: to improve the knowledge on the binding sites of the poly-hydroxylated carboxylic acids with the trivalent lanthanide(III) ions by comparing them to gluconic acid (previously studied) and to molecules with different configuration and with a variable number of OH functions (threonic acid, glyceric acid, 2-hydroxy-butanoic acid, 3-hydroxy-butanoic acid). To find the best complexing agent among different acids (aldonic acids, aldaric acids, di-hydroxybenzoic acids) (determination of the set of complexes and their stability constants by potentiometry, NMR and UV-Visible spectroscopy). To synthesize hydrophobic monoamides from one lactone form of saccharic acid, to study their complexing power and their capacity to extract the trivalent lanthanide(III) ions. (author)

  9. Synthesis and photoluminescence of Sm3+ doped alkali alkaline earth borate hosts NaBa4 (BO3)3 and LiSr4(BO3)3

    International Nuclear Information System (INIS)

    In this paper we report the photoluminescence of Sm3+ doped alkali alkaline borate hosts NaBa4 (BO3)3 and LiSr4 (BO3)3. For the synthesis of alkali alkaline borate hosts NaBa4 (BO3)3 and LiSr4 (BO3)3 doped with different concentrations of Sm3+ ions, we used the novel combustion technique. The phase purity of the hosts was confirmed by the powder XRD technique. The photoluminescence of the phosphors were carried out within 300 to 700 nm wavelength range. The phosphor shows intense orange red (602 nm) emission for near UV excitation. The FTIR spectra of the phase pure hosts have also been reported. (author)

  10. Lanthanide oxides thin films for graphene-based devices

    International Nuclear Information System (INIS)

    We study the application potential of gadolinium and dysprosium oxide for graphene-based devices. Lanthanide oxide thin films of defined thickness are deposited in the presence of oxygen as well as nitrogen at 400 C by thermal CVD on an n+-Si(100) substrate. The roughness of the films is determined by atomic force micrographs and the thickness by cross-section scanning electron microscopy. A breakdown field in the range of 0.3 Vnm-1 is determined by I-V measurements for both rare earth oxides. From C-V measurements at 1 MHz the dielectric constant of Gd2O3 (εr=9) and Dy2O3 (εr=8) are extracted. Since the dielectric constant of the rare earth oxides are higher compared to SiO2 we expect an improved screening of charged impurities and therefore an improved performance for graphene-based devices due to the oxides. By using a Fresnel-law based model the contrast of graphene is calculated as a function of wavelength for different oxide thicknesses and compared to optical and atomic force micrographs of exfoliated graphene on Gd2O3 and Dy2O3.

  11. Extraction of lanthanides by Cyanex 301: a theoretical approach

    International Nuclear Information System (INIS)

    S-donor ligands like Cyanex-301 are selective extractants for the trivalent actinides over the lanthanides which are ascribed to 'soft-soft interactions'. In the present paper, the nature of the extractable species for the lanthanides with Cyanex-301 was studied by solvent extraction technique. Different extractable species formed for different lanthanides (viz. La(III), Eu(III) and Lu(III)) was explained on the basis of their structures and energetic obtained from molecular modeling calculations. (author)

  12. Luminescent determination of some lanthanides in calcium preparations

    International Nuclear Information System (INIS)

    Calcium orthovanadate has been investigated as the basis of a crystallophosphore to determine lanthanide impurities in calcium preparations. Conditions of crystallophosphore synthesis were studied, and bands in the luminescence spectra of lanthanide ions were identified. Determinations of samarium, europium and dysprosium impurities is shown to be possible with the Ca3(VO4)2 crystallophosphore. The luminescence method has been developed to determine the above lanthanides with an accuracy of (2-5)x10-4%

  13. Ultrasmall lanthanide oxide nanoparticles for biomedical imaging and therapy

    CERN Document Server

    Lee, Gang Ho

    2014-01-01

    Most books discuss general and broad topics regarding molecular imagings. However, Ultrasmall Lanthanide Oxide Nanoparticles for Biomedical Imaging and Therapy, will mainly focus on lanthanide oxide nanoparticles for molecular imaging and therapeutics. Multi-modal imaging capabilities will discussed, along with up-converting FI by using lanthanide oxide nanoparticles. The synthesis will cover polyol synthesis of lanthanide oxide nanoparticles, Surface coatings with biocompatible and hydrophilic ligands will be discussed and TEM images and dynamic light scattering (DLS) patterns will be

  14. Lanthanide doped strontium-barium cesium halide scintillators

    Science.gov (United States)

    Bizarri, Gregory; Bourret-Courchesne, Edith; Derenzo, Stephen E.; Borade, Ramesh B.; Gundiah, Gautam; Yan, Zewu; Hanrahan, Stephen M.; Chaudhry, Anurag; Canning, Andrew

    2015-06-09

    The present invention provides for a composition comprising an inorganic scintillator comprising an optionally lanthanide-doped strontium-barium, optionally cesium, halide, useful for detecting nuclear material.

  15. Biosorption of Lanthanides from Aqueous Solutions Using Pretreated Buccinum tenuissimum Shell Biomass

    Directory of Open Access Journals (Sweden)

    Yusuke Koto

    2010-01-01

    Full Text Available Biosorption experiment from aqueous solutions containing known amount of rare earth elements (REEs using pre-treated Buccinum tenuissimum shell was explored to evaluate the efficiency of shell biomass as sorbent for REEs. In this work, four kinds of sieved shell samples: (a “Ground original sample”, (b “Heat-treatment (480∘C, 6 hours sample”, (c “Heat-treatment (950∘C, 6 hours sample” and (d “Heat-treatment (950∘C, 6 hours and water added sample” were used. Furthermore, to confirm the characteristics of the shell biomass, the crystal structure, the surface morphology, and the specific surface area of these shell samples were determined. Consequently, the following matters have been mainly clarified. (1 The crystal structure of the shell biomass was transformed from aragonite (CaCO3 into calcite (CaCO3 phase by heat-treatment (480∘C, 6 hours; then mainly transformed into calcium oxide (CaO by heat-treatment (950∘C, 6 hours, and calcium hydroxide (Ca(OH2 by heat-treatment (950∘C, 6 hours and adding water. (2 The shell biomass showed excellent sorption capacity for lanthanides. (3 Adsorption isotherms using the shell biomass can be described by Langmuir and Freundlich isotherms satisfactorily for lanthanides except “heat-treatment (950∘C, 6 hours sample”. (4 Shell biomass (usually treated as waste material can be an efficient sorbent for lanthanides in future.

  16. Lanthanide-halide based humidity indicators

    Science.gov (United States)

    Beitz, James V.; Williams, Clayton W.

    2008-01-01

    The present invention discloses a lanthanide-halide based humidity indicator and method of producing such indicator. The color of the present invention indicates the humidity of an atmosphere to which it is exposed. For example, impregnating an adsorbent support such as silica gel with an aqueous solution of the europium-containing reagent solution described herein, and dehydrating the support to dryness forms a substance with a yellow color. When this substance is exposed to a humid atmosphere the water vapor from the air is adsorbed into the coating on the pore surface of the silica gel. As the water content of the coating increases, the visual color of the coated silica gel changes from yellow to white. The color change is due to the water combining with the lanthanide-halide complex on the pores of the gel.

  17. Giant exchange interaction in mixed lanthanides

    Science.gov (United States)

    Vieru, Veacheslav; Iwahara, Naoya; Ungur, Liviu; Chibotaru, Liviu F.

    2016-04-01

    Combining strong magnetic anisotropy with strong exchange interaction is a long standing goal in the design of quantum magnets. The lanthanide complexes, while exhibiting a very strong ionic anisotropy, usually display a weak exchange coupling, amounting to only a few wavenumbers. Recently, an isostructural series of mixed (Ln = Gd, Tb, Dy, Ho, Er) have been reported, in which the exchange splitting is estimated to reach hundreds wavenumbers. The microscopic mechanism governing the unusual exchange interaction in these compounds is revealed here by combining detailed modeling with density-functional theory and ab initio calculations. We find it to be basically kinetic and highly complex, involving non-negligible contributions up to seventh power of total angular momentum of each lanthanide site. The performed analysis also elucidates the origin of magnetization blocking in these compounds. Contrary to general expectations the latter is not always favored by strong exchange interaction.

  18. Giant exchange interaction in mixed lanthanides.

    Science.gov (United States)

    Vieru, Veacheslav; Iwahara, Naoya; Ungur, Liviu; Chibotaru, Liviu F

    2016-01-01

    Combining strong magnetic anisotropy with strong exchange interaction is a long standing goal in the design of quantum magnets. The lanthanide complexes, while exhibiting a very strong ionic anisotropy, usually display a weak exchange coupling, amounting to only a few wavenumbers. Recently, an isostructural series of mixed (Ln = Gd, Tb, Dy, Ho, Er) have been reported, in which the exchange splitting is estimated to reach hundreds wavenumbers. The microscopic mechanism governing the unusual exchange interaction in these compounds is revealed here by combining detailed modeling with density-functional theory and ab initio calculations. We find it to be basically kinetic and highly complex, involving non-negligible contributions up to seventh power of total angular momentum of each lanthanide site. The performed analysis also elucidates the origin of magnetization blocking in these compounds. Contrary to general expectations the latter is not always favored by strong exchange interaction. PMID:27087470

  19. Intercalation of lanthanide trichlorides in graphite

    International Nuclear Information System (INIS)

    The reactions of the whole series of lanthanide trichlorides with graphite have been investigated. Intercalation compounds have been prepared with the chlorides of Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Sc, Y whereas LaCl3, CeCl3, PrCl3 and NdCl3 do not intercalate. The compounds were characterized by chemical and X-ray analysis. The amount of c-axis increase is consistent with the assumption that the chlorides are intercalated in form of a chloride layer sandwich resmbling the sheets in YCl3. The chlorides which do not intercalate crystallize in the UCl3 structure having 3 D arrangements of ions. Obviously, these chlorides cannot form sheets between the carbon layers. The ability of AlCl3 to volatilize lanthanide chlorides through complex formation in the gas phase can be used to increase the intercalation rate strikingly. (author)

  20. Thermodynamics and biogeochemistry of lanthanides and actinides

    International Nuclear Information System (INIS)

    Periodicity of changes in specific values of heat capacity and entropy of chemical elements, lanthanides, actinides, separating or transition elements, first of all, depending on their ordinal number, was considered. It is shown that entropy minima separate the chemical elements into light-weight and more heavy ones. The universal separation is fundamental, as it dictates the difference of the chemical elements not only in terms of thermodynamic, but also metallogenic, biogeochemical and physical properties, as well

  1. Effective core potential methods for the lanthanides

    International Nuclear Information System (INIS)

    In this paper a complete set of effective core potentials (ECPs) and valence basis sets for the lanthanides (Ce to Lu) are derived. These ECPs are consistent not only within the lanthanide series, but also with the third-row transition metals which bracket them. A 46-electron core was chosen to provide the best compromise between computational savings and chemical accuracy. Thus, the 5s and 5p are included as ''outer'' core while all lower energy atomic orbitals (AOs) are replaced with the ECP. Generator states were chosen from the most chemically relevant +3 and +2 oxidation states. The results of atomic calculations indicate that the greatest error vs highly accurate numerical potential/large, even-tempered basis set calculations results from replacement of the large, even-tempered basis sets with more compact representations. However, the agreement among atomic calculations remains excellent with both basis set sizes, for a variety of spin and oxidation states, with a significant savings in time for the optimized valence basis set. It is expected that the compact representation of the ECPs and valence basis sets will eventually encourage their use by computational chemists to further explore the bonding and reactivity of lanthanide complexes

  2. Thermal and radiative characteristics of oxyfluoride glass singly doped with lanthanide ions

    Institute of Scientific and Technical Information of China (English)

    Barbara; Gra(z)yna; DOMINIAK-DZIK; RYBA-ROMANOWSKI

    2010-01-01

    Rare earths-doped oxyfluoride glasses based on germanium oxide and lead fluoride were prepared from commercial raw materials.The glasses with general composition of 50GeO2-(50-x-y)PbO-yPbF2-xLnF3(Ln=Pr3+-Yb3+),contained different concentrations of optically active dopants(x=0.2 mol.% and 2 mol.%)and PbF2(y≤15 mol.%).The differential thermal analysis(DTA)was used to determine both thermal characteristic and thermal stability properties of the glasses in the function of the kind of dopant,its concentration,and a glass composition.Characteristic glass temperatures such as glass transition temperature(Tg),glass crystallization temperature(Tc)and temperature corresponding to the maximum of the crystallization rate(Tpc)were evaluated.On the basis of obtained results,the thermal stabilities of glasses under study were evaluated using various thermal stability criteria(Dietzel factor △T,Saad-Poulain factors H' and S').It was found that the increase in rare earth fluoride contents influenced thermal characteristics when the characteristic temperatures of the individual glass was shifted towards higher values.The effect of the PbF2 content and the kind of rare earth impurity on the glass stability was observed.Absorption spectra of lanthanide-doped glasses were measured at room temperature and used to determine the phenomenological intensity parameters Ωt and next,to estimate radiative properties of lanthanide ions in this matrix.Radiative transition probabilities of luminescent states of Ln3+,branching ratios and radiative lifetimes were determined.The variation of the Ωt along the lanthanide series was presented and discussed.

  3. Study on preparation and characterization of MOF based lanthanide doped luminescent coordination polymers

    Energy Technology Data Exchange (ETDEWEB)

    Binh, Nguyen Thanh; Tien, Dinh Manh; Giang, Lam Thi Kieu; Khuyen, Hoang Thi; Huong, Nguyen Thanh; Huong, Tran Thu; Lam, Tran Dai, E-mail: lamtd@ims.vast.ac.vn

    2014-02-14

    Coordination polymers (metal–organic frameworks or MOFs) offer the opportunity for fine-tuning the luminescence behavior because of the possibility to entrap in the network pores molecules that can influence the lanthanide (Ln) emission. In this study, Zn (II) and polycarboxylate based MOFs were first pre-formed by solvothermal method, then considered as host-matrix for in situ doping of low-input concentration of Eu{sup 3+} and Tb{sup 3+} (two most commonly used lanthanides in life science assays), and afterwards lanthanide doped luminescent materials were synthesized. Different characterizations (X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Energy-Dispersive Spectroscopy (EDS)) were carried out to confirm accordingly MOF's crystallinity, the structure and chemical composition. The study on luminescent properties of the material has revealed an efficient energy transfer from the ligand excited states to the Eu{sup 3+} and Tb{sup 3+} f-excited states. With quite low input concentrations (8–15%) of doped rare earth ions, these complexes displayed intense emissions at room temperature and proved to be good candidates for red and green emitter luminescent materials. Generally, this design concept can be extended for the preparation of other rare earth coordination polymers. - Highlights: • Synthesis of luminescent materials MOF-5/RE (RE = Eu, Tb) by solvothermal method with in situ doping of Eu{sup 3+} and Tb{sup 3+}. • MOF-5/RE with ordered structure gives strong luminescence spectra. • The design concept can be extended for the preparation of other rare earth coordination polymers.

  4. Liquidus temperature and chemical durability of selected glasses to immobilize rare earth oxides waste

    Energy Technology Data Exchange (ETDEWEB)

    Mohd Fadzil, Syazwani Binti; Hrma, Pavel R.; Schweiger, Michael J.; Riley, Brian J.

    2015-06-30

    Pyroprocessing is a reprocessing method for managing and reusing used nuclear fuel (UNF) by dissolving it in an electrorefiner with a molten alkali or alkaline earth chloride salt mixture while avoiding wet reprocessing. Pyroprocessing UNF with a LiCl-KCl eutectic salt releases the fission products from the fuel and generates a variety of metallic and salt-based species, including rare earth (RE) chlorides. If the RE-chlorides are converted to oxides, borosilicate glass is a prime candidate for their immobilization because of its durability and ability to dissolve almost any RE waste component into the matrix at high loadings. Crystallization that occurs in waste glasses as the waste loading increases may complicate glass processing and affect the product quality. This work compares three types of borosilicate glasses in terms of liquidus temperature (TL): the International Simple Glass designed by the International Working Group, sodium borosilicate glass developed by Korea Hydro and Nuclear Power, and the lanthanide aluminoborosilicate (LABS) glass established in the United States. The LABS glass allows the highest waste loadings (over 50 mass% RE2O3) while possessing an acceptable chemical durability.

  5. Phenomenon of magnetic birefringence in solutions of paramagnetic substances. Communication 2. Molar-magneto-optic constants of chlorides and nitrates of some lanthanides in water

    International Nuclear Information System (INIS)

    This paper determines the molar constants of the magnetic birefringence of chlorides and nitrates of some lanthanides in water and extrapolates them to infinite dilution. The principal semiaxes of the optical-polarizability ellipsoids of hydrated rare-earth cations have been evaluated in the axial approximation. The magneto-optic properties of dilute solutions of lanthanide nitrates (Ln = Pr, Nd, Sm, Eu, Gd, Tb, Dy, Er) are attributed to the constancy of the composition and structure of the aquo complexes with the participation of nitrate anions

  6. The fate of added alkalinity in model scenarios of ocean alkalinization

    Science.gov (United States)

    Ferrer González, Miriam; Ilyina, Tatiana

    2014-05-01

    The deliberate large-scale manipulation of the Earth's climate (geo-engineering) has been proposed to mitigate climate change and ocean acidification. Whilst the mitigation potential of these technologies could sound promising, they may also pose many environmental risks. Our research aims at exploring the ocean-based carbon dioxide removal method of alkalinity enhancement. Its mitigation potential to reduce atmospheric CO2 and counteract the consequences of ocean acidification, risks and unintended consequences are studied. In order to tackle these questions, different scenarios are implemented in the state-of-the-art Earth system model of the Max Planck Institute for Meteorology. The model configuration is based on the 5th phase of the coupled model intercomparison project following a high CO2 future climate change scenario RCP8.5 (in which radiative forcing rises to 8.5 W/m² in 2100). Two different scenarios are performed where the alkalinity is artificially added globally uniformly in the upper ocean. In the first scenario, alkalinity is increased as a pulse by doubling natural values of the first 12 meters. In the second scenario we add alkalinity into the same ocean layer such that the atmospheric CO2 concentration is reduced from RCP8.5 to RCP4.5 levels (with the radiative forcing of 4.5 W/m² in 2100). We investigate the fate of the added alkalinity in these two scenarios and compare the differences in alkalinity budgets. In order to increase oceanic CO2 uptake from the atmosphere, enhanced alkalinity has to stay in the upper ocean. Once the alkalinity is added, it will become part of the biogeochemical cycles and it will be distributed with the ocean currents. Therefore, we are particularly interested in the residence time of the added alkalinity at the surface. Variations in CO2 partial pressure, seawater pH and saturation state of carbonate minerals produced in the implemented scenarios will be presented. Collateral changes in ocean biogeochemistry and

  7. RP-IPC with a lactic acid modified eluent for separation and determination of lanthanide ions

    International Nuclear Information System (INIS)

    In this paper, a modified method for the separation and determination of Rare Earth Elements in solution is developed. Lanthanide ions were separated by Reversed-Phase Ion Pair Chromatography using a mobile phase gradient of pH and lactic acid concentration. A post-column reaction with 4-(2 pyridyl)azo resorcinol was carried out for the spectrophotometric detection of solutes. The derivatizing reagent composition was optimized for good solute sensitivity and long-term reagent stability. Method limitations due to inadequate instrumentation are presented and discussed

  8. Study of the reaction between Uranium(III) and Lanthanide oxide by using the UV-VIS spectrophotometer

    International Nuclear Information System (INIS)

    Recently, ionic melts have become attractive reaction media in many fields. Molten salt based electrochemical processes have been proposed as a promising method for future nuclear programs and more specifically for spent fuel processing. Molten alkaline chloride based melts are considered as a promising reaction media. For this, it is interesting to understand the chemical nature of the actinides and lanthanides in high-temperature melt. Some spectroscopy provides essential information on the exact nature of f-block elements LiCl-KCl melt system. The knowledge on the basic chemical properties of these lanthanide oxides and U(III) in molten salt media is essential for developing suitable processes. However, few studies have been reported until now on the interaction between U metal and lanthanide oxides in LiCl-KCl melt. So, we studied the interaction between U(III) and Ln(III) by using the UV-VIS spectra. UV-vis spectrometry is a strong analytical technique for characterizing chemical species and their behavior in molten salt

  9. Phthalamide-lanthanide complexes for use as luminescent markers

    Science.gov (United States)

    Raymond, Kenneth N.; Petoud, Stephane; Cohen, Seth; Xu, Jide

    2008-10-28

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one phthalamidyl moiety. Also provided are probes incorporating the phthalamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  10. Luminescent lanthanide reporters: new concepts for use in bioanalytical applications

    International Nuclear Information System (INIS)

    Lanthanides represent the chemical elements from lanthanum to lutetium. They intrinsically exhibit some very exciting photophysical properties, which can be further enhanced by incorporating the lanthanide ion into organic or inorganic sensitizing structures. A very popular approach is to conjugate the lanthanide ion to an organic chromophore structure forming lanthanide chelates. Another approach, which has quickly gained interest, is to incorporate the lanthanide ions into nanoparticle structures, thus attaining improved specific activity and a large surface area for biomolecule immobilization. Lanthanide-based reporters, when properly shielded from the quenching effects of water, usually express strong luminescence emission, multiple narrow emission lines covering a wide wavelength range, and exceptionally long excited state lifetimes enabling time-gated luminescence detection. Because of these properties, lanthanide-based reporters have found widespread applications in various fields of life. This review focuses on the field of bioanalytical applications. Luminescent lanthanide reporters and assay formats utilizing these reporters pave the way for increasingly sensitive, simple, and easily automated bioanalytical applications. (topical review)

  11. Enhancement of the mutual separation of lanthanide elements in the solvent extraction based on the CMPO-TBP mixed solvent by using a DTPA-nitrate solution

    International Nuclear Information System (INIS)

    The mutual separation behavior of rare earth elements was studied in the system based on the neutral extractant CMPO (n-octyl(phenyl)-N,N-diisobutylcarbamoyl methylphosphine oxide) and aminopolyacetic acid DTPA (diethylenetriamine pentaacetic acid). The extractability of lanthanides decreased monotonously with increasing of atomic number in the system of 0.2 M CMPO-1.0 M TBP-n-dodecane (TRUEX solvent) and 0.05 M DTPA-NaNO3 or hydroxylamine nitrate (HAN) solution. The separation factor of La/Lu was 6,600 using 0.05 M DTPA-3 M NaNO3 solution (initial pH=2.0). The mutual separation of lanthanides in the CMPO/DTPA system was greatly improved when compared with the general TRUEX system. The separation factor was not affected by the initial pH of the solution (1.8-2.2), the salting out reagent (NaNO3 and HAN), or its concentration (2, 3 M). The experimentally obtained separation factors of lanthanide elements were reproduced by a simple model based on the distribution ratios in the TRUEX extraction system and the stability constants of DTPA-metal complex. The mutual separation between light lanthanides in attributed to the selectivity of DTPA, while CMPO mainly influences the separation of heavy lanthanides. (author)

  12. Alkaline broadening in Stars

    CERN Document Server

    De Kertanguy, A

    2015-01-01

    Giving new insight for line broadening theory for atoms with more structure than hydrogen in most stars. Using symbolic software to build precise wave functions corrected for ds;dp quantum defects. The profiles obtained with that approach, have peculiar trends, narrower than hydrogen, all quantum defects used are taken from atomic database topbase. Illustration of stronger effects of ions and electrons on the alkaline profiles, than neutral-neutral collision mechanism. Keywords : Stars: fundamental parameters - Atomic processes - Line: profiles.

  13. Separation device of radio lanthanides (DISER)

    International Nuclear Information System (INIS)

    At the present time the cancer is one of the main causes of mortality in our country, therefore, its prevention, diagnostic and treatment is of vital importance for those health systems. The treatment of the cancer and other illnesses, starting from monoclonal antibodies, peptides, macro aggregates or marked aminoacids with beta particles emitting radioisotopes, it is an extremely promising field. The radioactive lanthanides: Promethium 149, Terbium 161, Holmium 166 and Lutetium 177 are beta emitting (β), which possess nuclear and chemical properties that have shown their feasibility like radioisotopes of radiotherapeutic use. However, these radioisotopes are not commercially available; to this respect, the Radioactive Materials Research Laboratory (LIMR) of the National Institute of Nuclear Research (ININ), it has developed the methodology of production of these radioisotopes and based on these works, there is designed, built and mounted the Radio lanthanides Separation Device (DISER) able to carry out the radioisotopes production in a routine way. This device is content in a cell that has an auxiliary air service, an extraction system and it is protected with a lead armor-plating of 10 cm. The DISER it is manual and easy of managing. The main function of this equipment is the radio lanthanides separation starting from the extractive chromatography by means of packed columns with a commercial resin (LnSPS) and recovered in the superior and inferior part by fiber glass. The DISER is composed by a main carrousel where the separation columns and the elution recipients are mounted. Also counts with an opening system of irradiation vials, port samples for columns and glass material. The present work presents a detailed description of the DISER, as well as its handling that allows to produce the radioisotopes Promethium-149, Terbium-161, Holmium-166 and Lutetium-177 starting from the separation of its parent elements Neodymium-149, Gadolinium-161, Dysprosium-166 and

  14. Conductimetric and spectrophotometric investigation of lanthanide cyclohexaphosphates

    Science.gov (United States)

    Ben Nasr, Chérif

    2000-06-01

    The preparation and properties of some lanthanide cyclohexaphosphates Ln 2P 6O 18· nH 2O (Ln=La, Ce, Pr, Nd, Sm, Er and Yb) are described. Conductivity measurements and IR spectra are presented. The comparison with properties of some other salts, Nd (BrO 3) 3·9H 2O, NdP 3O 9·3H 2O and Nd 4 (P 4O 12) 3·13H 2O, suggests that the coordination number of Nd 3+ in the cyclohexaphosphate is nine.

  15. Enthalpies of formation and atomization energies of rare earth halides

    International Nuclear Information System (INIS)

    On the basis of experimentally determined atomization energies and formation enthalpies of gaseous rare earth chlorides and theoretical insights of quantum-chemical model ''atom in a molecule'' the analysis of the known literature data on formation enthalpies and atomization energies for lanthanide fluorides, bromides and iodides has been carried out and their values are assessed for unexplored molecules

  16. Partitioning of lanthanides and Y between immiscible silicate and fluoride melts, fluorite and cryolite and the origin of the lanthanide tetrad effect in igneous rocks

    Science.gov (United States)

    Veksler, Ilya V.; Dorfman, Alexander M.; Kamenetsky, Maya; Dulski, Peter; Dingwell, Donald B.

    2005-06-01

    Some F-rich granitic rocks show anomalous, nonchondritic ratios of Y/Ho, extreme negative Eu anomalies, and unusual, discontinuous, segmented chondrite-normalised plots of rare earth elements (REE). The effects of F-rich fluids have been proposed as one of the explanations for the geochemical anomalies in the evolved granitic systems, as the stability of nonsilicate complexes of individual rare earths may affect the fluid-melt element partitioning. The lanthanide tetrad effect, related to different configurations of 4f-electron subshells of the lanthanide elements, is one of the factors affecting such complexing behaviour. We present the first experimental demonstration of the decoupling of Y and Ho, and the tetrad effect in the partitioning of rare earths between immiscible silicate and fluoride melts. Two types of experiments were performed: dry runs at atmospheric pressure in a high-temperature centrifuge at 1100 to 1200°C, and experiments with the addition of H 2O at 700 to 800°C and 100 MPa in rapid-quench cold-seal pressure vessels. Run products were analysed by electron microprobe (major components), solution-based inductively coupled plasma mass spectrometry (ICP-MS) (REE in the centrifuged runs), and laser ablation ICP-MS (REE and Li in the products of rapid-quench runs). All the dry centrifuge runs were performed at super-liquidus, two-phase conditions. In the experiments with water-bearing mixtures, minor amounts of aqueous vapour were present in addition to the melts. We found that lanthanides and Y concentrated strongly in the fluoride liquids, with two-melt partition coefficients reaching values as high as 100-220 in water-bearing compositions. In all the experimental samples, two-melt partition coefficients of lanthanides show subtle periodicity consistent with the tetrad effect, and the partition coefficient of Y is greater than that of Ho. One of the mixtures also produced abundant fluorite (CaF 2) and cryolite (Na 3AlF 6) crystals, which enabled

  17. Lanthanide-doped luminescent nanomaterials. From fundamentals to bioapplications

    International Nuclear Information System (INIS)

    Covers the frontiers in chemistry, physics and bioapplications of lanthanide-doped luminescent nanomaterials. Presents new insights into the optical behaviors of lanthanide in nanomaterials. Systematically reviews in-vitro biodetection and bioimaging based on lanthanide-doped inorganic nanocrystals. Lanthanide-Doped Luminescent Nanomaterials reviews the latest advances in the development of lanthanide-doped luminescent inorganic nanoparticles for potential bioapplications. This book covers the chemical and physical fundamentals of these nanoparticles, such as the controlled synthesis methodology, surface modification chemistry, optical physics, and their promising applications in diverse bioassays, with an emphasis on heterogeneous and homogeneous in-vitro biodetection of tumor biomarkers. This book is intended for those readers who are interested in systematically understanding the materials design strategy, optical behavior of lanthanide ions, and practical bioapplications of lanthanide nanoparticles. It primarily focuses on the interdisciplinary frontiers in chemistry, physics and biological aspects of luminescent nanomaterials. All chapters were written by scientists active in this field and for a broad audience, providing both beginners and advanced researchers with comprehensive information on the subject.

  18. Lanthanide-doped luminescent nanomaterials. From fundamentals to bioapplications

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xueyuan; Tu, Datao; Liu, Yongsheng [Chinese Academy of Sciences, Fuzhou (China). Fujian Inst. of Research on the Structure of Matter

    2014-07-01

    Covers the frontiers in chemistry, physics and bioapplications of lanthanide-doped luminescent nanomaterials. Presents new insights into the optical behaviors of lanthanide in nanomaterials. Systematically reviews in-vitro biodetection and bioimaging based on lanthanide-doped inorganic nanocrystals. Lanthanide-Doped Luminescent Nanomaterials reviews the latest advances in the development of lanthanide-doped luminescent inorganic nanoparticles for potential bioapplications. This book covers the chemical and physical fundamentals of these nanoparticles, such as the controlled synthesis methodology, surface modification chemistry, optical physics, and their promising applications in diverse bioassays, with an emphasis on heterogeneous and homogeneous in-vitro biodetection of tumor biomarkers. This book is intended for those readers who are interested in systematically understanding the materials design strategy, optical behavior of lanthanide ions, and practical bioapplications of lanthanide nanoparticles. It primarily focuses on the interdisciplinary frontiers in chemistry, physics and biological aspects of luminescent nanomaterials. All chapters were written by scientists active in this field and for a broad audience, providing both beginners and advanced researchers with comprehensive information on the subject.

  19. Computational discovery of lanthanide doped and Co-doped Y3Al5O12 for optoelectronic applications

    International Nuclear Information System (INIS)

    We systematically elucidate the optoelectronic properties of rare-earth doped and Ce co-doped yttrium aluminum garnet (YAG) using hybrid exchange-correlation functional based density functional theory. The predicted optical transitions agree with the experimental observations for single doped Ce:YAG, Pr:YAG, and co-doped Er,Ce:YAG. We find that co-doping of Ce-doped YAG with any lanthanide except Eu and Lu lowers the transition energies; we attribute this behavior to the lanthanide-induced change in bonding environment of the dopant atoms. Furthermore, we find infrared transitions only in case of the Er, Tb, and Tm co-doped Ce:YAG and suggest Tm,Ce:YAG and Tb,Ce:YAG as possible functional materials for efficient spectral up-conversion devices

  20. Chemistry of Selected Core Samples, Concentrate, Tailings, and Tailings Pond Waters: Pea Ridge Iron (-Lanthanide-Gold) Deposit, Washington County, Missouri

    Science.gov (United States)

    Grauch, Richard I.; Verplanck, Philip L.; Seeger, Cheryl M.; Budahn, James R.; Van Gosen, Bradley S.

    2010-01-01

    The Minerals at Risk and for Emerging Technologies Project of the U.S. Geological Survey (USGS) Mineral Resources Program is examining potential sources of lanthanide elements (rare earth elements) as part of its objective to provide up-to-date geologic information regarding mineral commodities likely to have increased demand in the near term. As part of the examination effort, a short visit was made to the Pea Ridge iron (-lanthanide-gold) deposit, Washington County, Missouri in October 2008. The deposit, currently owned by Wings Enterprises, Inc. of St. Louis, Missouri (Wings), contains concentrations of lanthanides that may be economic as a primary product or as a byproduct of iron ore production. This report tabulates the results of chemical analyses of the Pea Ridge samples and compares rare earth elements contents for world class lanthanide deposits with those of the Pea Ridge deposit. The data presented for the Pea Ridge deposit are preliminary and include some company data that have not been verified by the USGS or by the Missouri Department of Natural Resources, Division of Geology and Land Survey (DGLS), Geological Survey Program (MGS). The inclusion of company data is for comparative purposes only and does not imply an endorsement by either the USGS or MGS.

  1. Lanthanide (III) complexes of 2-(N-salicylideneamino)-4-phenylthiazole

    International Nuclear Information System (INIS)

    Lanthanide(III) complexes of 2-(N-salicylideneamino)-4- phenylthiazole (HSAT) have been synthesised and characterised by elemental, analytical, thermogravimetric, molar conductance, UV- visible, IR and NMR spectral data. The ligand coordinates to the lanthanide(III) ion in a tridentate fashion without deprotonation, giving complexes of the type [Ln(HSAT)2(NO3)3] and [Ln(HSAT)2(H20)3Cl3]. The spectral data reveal that the ligand is bonded to the lanthanide ion through azomethine nitrogen, ring nitrogen and phenolic oxygen without deprotonation. The nitrate group acts in a bidentate fashion. The ligand and the metal complexes exhibit antibacterial and antifungal activities. (author)

  2. Study of lanthanide leaching from phosphosemihydrate by nitric acid

    International Nuclear Information System (INIS)

    Nitric acid leaching of lanthanides from phosphosemihydrate (PSH) prepared by treating the Khibiny apatite concentrate at nitric acid concentration of 2-8% and S:L ratio 1:3 was studied under laboratory conditions. Results of experiments are compared with the data obtained during sulfuric acid leaching. It is shown that during one-stage process nitric acid leaches lanthanides from PSH more effectively that sulfuric acid. However, in case of multiple use of the same solution for successive leaching of several portion of PSH, accumulation of lanthanides in nitric acid solutions occurs less intensively than in sulfuric acid ones

  3. Alkaline Phosphatase in Stem Cells

    Directory of Open Access Journals (Sweden)

    Kateřina Štefková

    2015-01-01

    Full Text Available Alkaline phosphatase is an enzyme commonly expressed in almost all living organisms. In humans and other mammals, determinations of the expression and activity of alkaline phosphatase have frequently been used for cell determination in developmental studies and/or within clinical trials. Alkaline phosphatase also seems to be one of the key markers in the identification of pluripotent embryonic stem as well as related cells. However, alkaline phosphatases exist in some isoenzymes and isoforms, which have tissue specific expressions and functions. Here, the role of alkaline phosphatase as a stem cell marker is discussed in detail. First, we briefly summarize contemporary knowledge of mammalian alkaline phosphatases in general. Second, we focus on the known facts of its role in and potential significance for the identification of stem cells.

  4. Alkaline fuel cells applications

    Science.gov (United States)

    Kordesch, Karl; Hacker, Viktor; Gsellmann, Josef; Cifrain, Martin; Faleschini, Gottfried; Enzinger, Peter; Fankhauser, Robert; Ortner, Markus; Muhr, Michael; Aronson, Robert R.

    On the world-wide automobile market technical developments are increasingly determined by the dramatic restriction on emissions as well as the regimentation of fuel consumption by legislation. Therefore there is an increasing chance of a completely new technology breakthrough if it offers new opportunities, meeting the requirements of resource preservation and emission restrictions. Fuel cell technology offers the possibility to excel in today's motive power techniques in terms of environmental compatibility, consumer's profit, costs of maintenance and efficiency. The key question is economy. This will be decided by the costs of fuel cell systems if they are to be used as power generators for future electric vehicles. The alkaline hydrogen-air fuel cell system with circulating KOH electrolyte and low-cost catalysed carbon electrodes could be a promising alternative. Based on the experiences of Kordesch [K. Kordesch, Brennstoffbatterien, Springer, Wien, 1984, ISBN 3-387-81819-7; K. Kordesch, City car with H 2-air fuel cell and lead-battery, SAE Paper No. 719015, 6th IECEC, 1971], who operated a city car hybrid vehicle on public roads for 3 years in the early 1970s, improved air electrodes plus new variations of the bipolar stack assembly developed in Graz are investigated. Primary fuel choice will be a major issue until such time as cost-effective, on-board hydrogen storage is developed. Ammonia is an interesting option. The whole system, ammonia dissociator plus alkaline fuel cell (AFC), is characterised by a simple design and high efficiency.

  5. Exploring the effect of remote substituents and solution structure on the luminescence of three lanthanide complexes

    International Nuclear Information System (INIS)

    Sensitized luminescence from trivalent lanthanide ions relies on an appropriate energy match between the sensitizer’s excited state (triplet or singlet) and the lanthanide excited state manifold, and also an efficient mechanism of energy transfer between the two. Here, the effect of remote substituents on the luminescence properties of a series of related lanthanide complexes has been investigated. The sensitized lanthanide centered emission is not invariably found to occur following excitation of all chromophores in all systems, and it is shown that only the most structurally congested of the systems investigated exhibited pronounced solvatochromism. - Highlights: • Effect of remote substituents and self-assembly on lanthanide luminescence. • Molecular structure rather than chromophore density defines lanthanide sensitization. • Kimura's and Horrocks' approach to determine lanthanide solvation is revisited. • Solvent alters sensitization pathways in multinuclear lanthanide complexes. • Increasing chromophore density may reduce lanthanide luminescence

  6. Extraction of actinides and lanthanides by calixarenes CMPO. Possibility to separate actinides from lanthanides (Calixpart project)

    International Nuclear Information System (INIS)

    The CALIXPART project accepted by the European Community within the framework of the 5 PCRD, relates to the 'selective extraction of minor actinides from H.A. liquid waste by organized matrices'. The objective of this new project is the selective extraction in only one step of minor actinides from a solution of fission products including lanthanides. This separation will be investigated through two strategies: - In the first one, macrocycles will be grafted with ligands containing nitrogen or sulphur which are able to discriminate actinides from lanthanides, but generally present very low distribution coefficients in strongly acidic solutions. Following the example of calixarenes CMPO, the grafting of these ligands on macrocyclic supports should increase the distribution coefficients, and thus allow to use these extractants at nitric acid concentrations up to 3 M. The nitrogen or sulphur ligands are not necessarily selective with respect to the other fission products, and the macrocyclic structure should also afford this necessary selectivity if one wishes to operate in a single step. Once americium and curium separated, the difference in size between both cations is undoubtedly sufficient to make it possible to separate them at the stripping stage. - The second strategy considered is the introduction of two types of ligands (hard and soft) on a macrocyclic structure, the first ensuring the extraction of lanthanides and trivalent actinides, the seconds bringing discrimination between these two groups of cations. (author)

  7. Lanthanide-doped luminescent nanomaterials from fundamentals to bioapplications

    CERN Document Server

    Chen, Xueyuan; Tu, Datao

    2014-01-01

    Lanthanide-Doped Luminescent Nanomaterials reviews the latest advances in the development of lanthanide-doped luminescent inorganic nanoparticles for potential bioapplications. This book covers the chemical and physical fundamentals of these nanoparticles, such as the controlled synthesis methodology, surface modification chemistry, optical physics, and their promising applications in diverse bioassays, with an emphasis on heterogeneous and homogeneous in-vitro biodetection of tumor biomarkers. This book is intended for those readers who are interested in systematically understanding the materials design strategy, optical behavior of lanthanide ions, and practical bioapplications of lanthanide nanoparticles. It primarily focuses on the interdisciplinary frontiers in chemistry, physics and biological aspects of luminescent nanomaterials. All chapters were written by scientists active in this field and for a broad audience, providing both beginners and advanced researchers with comprehensive information on the ...

  8. New reagents for actinide-lanthanide group separations

    International Nuclear Information System (INIS)

    Organic extractants which possess nitrogen or sulfur donor atoms preferentially complex the trivalent actinide. They are potential reagents for actinide lanthanide group separations, which can be performed at low pH without the addition of inorganic salts

  9. Lanthanide-promoted ethylation of Schiff bases by triethylaluminum.

    Science.gov (United States)

    Tsvelikhovsky, Dmitry; Gelman, Dmitri; Molander, Gary A; Blum, Jochanan

    2004-06-10

    [reaction: see text] Schiff bases of aromatic aldehydes and anilines that fail to react with triethylaluminum are smoothly alkylated at room temperature in the presence of lanthanide catalysts. The alkylation takes place selectively at the vinylic carbon atom. PMID:15176802

  10. The complexation of lanthanides by azo-. beta. -diketones stability constants

    Energy Technology Data Exchange (ETDEWEB)

    Zabra, A.M.; Ramadian, A.A.I.; El-Shetary, B.A.; Abdel-Moez, M.S.

    1982-03-01

    In the present investigation the overall stability constants of an interest tridentate organic ligands and tervalent lanthanide ions have been measured potentiometrically. The stability constants of the complexes between the trivalent lanthanide series of cations and series of azo-..beta..-diketone ligands are reported. The measurements were conducted at 30/sup 0/ at an ionic strength of zero, in 100% methanol. The relation between the overall stability constant (log ..beta../sub 2/) and atomic number of the lanthanide elements, shows a buffer zone at the gadolinium area. The relation between (log ..beta../sub 2/) and the basicity of the studied ligands (..sigma..pK's) are also, discussed. The overall stability values obtained reflected a great affinity of the organic ligands for chelation with lanthanide ions.

  11. Lanthanide extraction with 2,5-dimethyl-2-hydroxyhexanoic acid

    International Nuclear Information System (INIS)

    This research is concerned with the solvent extraction into chloroform of the lanthanides, using 2,5-dimethyl-2-hydroxyhexanoic acid (DMHHA). This acid is the first α-hydroxy aliphatic acid to be studied as an extracting agent for the lanthanides. The chloroform-water DMHHA partition constant was determined to be 1.0 (at 0.1 M ionic strength and 250C). The acid dimerizes in chloroform with a constant of 56. The light lanthanides can be extracted into chloroform by forming complexes with the DMHHA anions. The extracted metal species is highly aggregated. This extraction has a solubility limit which increases with the addition of unionized acid. The resultant extract is also highly aggregated. At unionized acid-to-metal ratios greater than one, extractions first occur followed by the slow precipitation of the lanthanide. At the tracer level, neodymium is extracted primarily as NdA3(HA)5 and (NdA3)2(HA)/sub q/. Very small amounts of (NdA3)2 and other metal aggregates are also present. The heavy lanthanides do not extract from solutions of DMHHA and its potassium salt, but form aqueous emulsions and precipitates. In the presence of the organic soluble tetrabutylammonium ion the heavy lanthanides can be extracted, presumably as ion pairs. The stability constants of the light lanthanides and DMHHA were determined. The separation factors obtained from DMHHA extractions of the light lanthanides were also investigated and found to be comparable to those obtained employing normal aliphatic carboxylic acid

  12. The recovery of uranium and the lanthanides from phosphate rock

    International Nuclear Information System (INIS)

    A process is proposed for the treatment of phosphate rock for the recovery of uranium and the lanthanides. The process is based on the use of nitric acid for leaching the rock, the use of common reagents for the recovery of fluorine and the removal of radium, and the use of organic solvent for the recovery of uranium and the lanthanides. The process assures the production of phosphatic fertilizers without polluting the environment with radioactive material

  13. Ionic liquids as a novel solvent for lanthanide extraction.

    Science.gov (United States)

    Nakashima, Kazunori; Kubota, Fukiko; Maruyama, Tatsuo; Goto, Masahiro

    2003-08-01

    Octyl(phenyl)-N,N-diisobutylcarbamoylmethyl phosphine oxide (CMPO) dissolved in an ionic liquids, 1-butyl-3-methyl-imidazolium hexafluorophosphate, greatly enhances extractability and selectivity of lanthanide cations compared to that dissolved in conventional organic solvents; further, the recovery of lanthanides extracted into ionic liquids can be accomplished using several stripping solutions containing complexing agents. The possibility of utilizing ionic liquids as novel separation media in an industrial liquid-liquid extraction process was demonstrated. PMID:12945658

  14. Fluorescence of lanthanide(III) complexes in aqueous solutions

    International Nuclear Information System (INIS)

    The fluorescence of lanthanide ions and of their complexes with EDTA, NTA and AA in aqueous solutions was investigated. It has been shown that the fluorescence band intensities of Sm(III), Eu(III), Gd(III), Tb(III) and Dy(III) complexes depend on the pH and the complexing agent concentration. Fluorescence measurements were used to characterise the lanthanide complexes formed and an attempt was made to interpret the results theoretically. (Author)

  15. Lanthanide Ternary Complexes Relevent to the Nuclear Fuel Cycle

    OpenAIRE

    Roughley, Georgina

    2012-01-01

    This project has been focused on modelling actinide behaviour using lanthanide analogues. Ternary complexes of Lanthanides-EDTA-Carbonate have been studied with techniques such as potentiometry and ultraviolet-visible absorption spectroscopy.It was found that ternary complexes of Ln-EDTA-Carbonate and Ln-EDTA-OH do exist for La, Eu and Lu. Log K values were calculated from potentiometry titrations which involve the formation of these ternary species. For lanthanum, the log K values for the co...

  16. Luminescence properties of lanthanide and ytterbium lanthanide titanate thin films grown by atomic layer deposition

    International Nuclear Information System (INIS)

    Lanthanide based luminescent materials are highly suitable as down conversion materials in combination with a UV-absorbing host material. The authors have used TiO2 as the UV-absorbing host material and investigated the energy transfer between TiO2 and 11 different lanthanide ions, Ln3+ (Ln = La, Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb) in thin films grown by atomic layer deposition. They have also investigated the possibility to improve the overall energy transfer from TiO2 to Yb3+ with a second Ln3+, in order to enhance down conversion. The films were grown at a substrate temperature of 300 °C, using the Ln(thd)3/O3 (thd = 2,2,6,6-tetramethyl-3,5-heptanedione) and TiCl4/H2O precursor pairs. The focus of the work is to explore the energy transfer from TiO2 to Ln3+ ions, and the energy transfer between Ln3+ and Yb3+ ions, which could lead to efficient down conversion. The samples have been characterized by x-ray diffraction, x-ray fluorescence, spectroscopic ellipsometry, and photoluminescence. All films were amorphous as deposited, and the samples have been annealed at 600, 800, and 1000 °C in order to investigate the correlation between the crystallinity and luminescence. The lanthanum titanium oxide samples showed a weak and broad emission centered at 540 nm, which was absent in all the other samples, indicating energy transfer from TiO2 to Ln3+ in all other lanthanide samples. In the amorphous phase, all samples, apart from La, Tb, and Tm, showed a typical f-f emission when excited by a 325 nm HeCd laser. None of the samples showed any luminescence after annealing at 1000 °C due to the formation of Ln2Ti2O7. Samples containing Nd, Sm, and Eu show a change in emission spectrum when annealed at 800 °C compared to the as-deposited samples, indicating that the smaller lanthanides crystallize in a different manner than the larger lanthanides. Energy transfer from Ln3+ to Yb3+ was observed neither in the amorphous or annealed samples. On the

  17. Studies of some lanthanide quaternary complexes

    International Nuclear Information System (INIS)

    Formation constants of mixed ligand quaternary lanthanide complexes of the type M-A-B-L'/L' where M=La3+, Pr3+, Nd3+; A=ethylenediamine N, N, N', N'-tetraacetic acid (EDTA); B=thiodiglycolic acid (TDA); L'=iminodiacetic acid (IDA) and L'=glycine (GLY) have been determined by pH-metric technique at 35±1degC in 0.1 mol dm-3KNO3. Stability constants reveal the orders: La(III)< Pr(III)< Nd(III) in terms of metal ions, binary< ternary< quaternary in terms of complex species, and IDA< Gly in terms of amino acids. The Δ LOG K values are negative for all the ternary and quaternary systems. However, Δ log K values are significantly positive indicating intramolecular hydrophobic ligand-ligand interactions. (author). 16 refs

  18. Thermal decompositions of heavy lanthanide aconitates

    International Nuclear Information System (INIS)

    The conditions of thermal decomposition of Tb(III), Dy, Ho, Er, Tm, Yb and Lu aconitates have been studied. On heating, the aconitates of heavy lanthanides lose crystallization water to yield anhydrous salts, which are then transformed into oxides. The aconitate of Tb(III) decomposes in two stages. First, the complex undergoes dehydration to form the anhydrous salt, which next decomposes directly to Tb4O7. The aconitates of Dy, Ho, Er, Tm, Yb and Lu decompose in three stages. On heating, the hydrated complexes lose crystallization water, yielding the anhydrous complexes; these subsequently decompose to Ln2O3 with intermediate formation of Ln2O2CO3. (author)

  19. Responsive lanthanide coordination polymer for hydrogen sulfide.

    Science.gov (United States)

    Liu, Baoxia; Chen, Yang

    2013-11-19

    Metal organic coordination polymers have received great attention because of their flexible compositions and architecture. Here, we report the design and synthesis of a responsive lanthanide coordination polymer (LCP) for hydrogen sulfide (H2S), utilizing self-assembling of biomolecule nucleotide with luminescent terbium ion (Tb(3+)) and sensitizing silver ion (Ag(+)) in aqueous solution. LCP is highly fluorescent due to the inclusion of Ag(+) ions, which sensitized the fluorescence of Tb(3+) ions. H2S can strongly quench the fluorescence of LCP through its high affinity for Ag(+) ions. Such configurated LCP material from initial building blocks showed high sensitivity and selectivity for H2S and was applied to the determination of H2S in human serum. LCP with Tb(3+) ions also has a long fluorescence lifetime, which allows for time-resolved fluorescence assays, possessing particular advantages to probing H2S in biological systems with autofluorescence. PMID:24191713

  20. Bifunctional alkaline oxygen electrodes

    Science.gov (United States)

    Swette, L.; Kackley, N.; Mccatty, S. A.

    1991-01-01

    The authors describe the identification and testing of electrocatalysts and supports for the positive electrode of moderate-temperature, single-unit, rechargeable alkaline fuel cells. Recent work on Na(x)Pt3O4, a potential bifunctional catalyst, is described, as well as the application of novel approaches to the development of more efficient bifunctional electrode structures. The three dual-character electrodes considered here showed similar superior performance; the Pt/RhO2 and Rh/RhO2 electrodes showed slightly better performance than the Pt/IrO2 electrode. It is concluded that Na(x)Pt3O4 continues to be a promising bifunctional oxygen electrode catalyst but requires further investigation and development.

  1. Silica in alkaline brines

    Science.gov (United States)

    Jones, B.F.; Rettig, S.L.; Eugster, H.P.

    1967-01-01

    Analysis of sodium carbonate-bicarbonate brines from closed basins in volcanic terranes of Oregon and Kenya reveals silica contents of up to 2700 parts per million at pH's higher than 10. These high concentrations of SiO 2 can be attributed to reaction of waters with silicates, and subsequent evaporative concentration accompanied by a rise in pH. Supersaturation with respect to amorphous silica may occur and persist for brines that are out of contact with silicate muds and undersaturated with respect to trona; correlation of SiO2 with concentration of Na and total CO2 support this interpretation. Addition of moredilute waters to alkaline brines may lower the pH and cause inorganic precipitation of substantial amounts of silica.

  2. Interaction of lanthanide cations and uranyl ion with the calcium/proton antiport system in Mycobacterium phlei.

    Science.gov (United States)

    Agarwal, N; Kalra, V K

    1983-01-19

    Uranyl ions (UO2+(2)) and lanthanide cations (La3+, Nd3+, Sm3+, Eu3+, Tb3+ and Dy3+) at 100-200 microM concentration inhibited active transport of Ca2+, mediated by respiratory linked substrates as well as by ATP hydrolysis, without affecting respiration and membrane-bound ATPase activity, in inside-out membrane vesicles of Mycobacterium phlei. The extent of inhibition in the uptake of Ca2+, mediated by ATP hydrolysis, increased with increase in ionic radii of these cations. Lanthanide cations did not dissipate the formation of a proton gradient, as measured by determining the effect either on the uptake of [14C]methylamine or energy-linked quenching of the fluorescence of 9-aminoacridine. However, uranyl ion (UO2+(2+)) caused reversal of the energy-linked quenching of 9-aminoacridine. UO2+(2)) concentration yielding 50% of Vmax (S0.5) was approx. 15 microM. Kinetic studies revealed that inhibition in the uptake of Ca2+ was competitive with UO2+(2) while non-competitive with rare-earth metals. It is proposed that inhibition in the uptake of Ca2+ by uranyl ion occurs as a result of UO2+(2) transport into the interior of vesicles in exchange for protons, while lanthanide cations are not being transported but affect the binding of Ca2+ to the membrane, presumably to the Ca2+/H+ antiporter. PMID:6838872

  3. Fabrication of a lanthanide complex with specific magnetic and optical properties

    International Nuclear Information System (INIS)

    Aiming at control of molecular structure of lanthanide complexes, generally difficult owing to the large coordination number and also to the complexity coming from variation in ionic radius called lanthanide contraction, the authors synthesized a series of the rare earth (from La to Yb) complexes having a redox-active ligand, [Ln(aminoquinone)2(Otf)3] where Otf=CF3SO3-, and investigated the change in magnetic and optical properties with varying central metals. Neutral complexes were prepared by designing the ligand coordinating to metal through three atoms, 2,3-diaminonaphthoquinone neutralized by triethylamine in acetonitrile, further treated with La trifluoromethane-sulfonate. The structure was confirmed by X-ray crystallography with bond length estimated. Coordination structural change with changing central metal was studied in view of ionic radius of metal. One-electron reduction of the ligand was studied with Ln=La, Ga, and Yb, the interaction of the resulting organic radical with f-electron of the metal studied by ESR. Magnetic susceptibility was measured as function of temperature and discussed from the molecular structural view point. (S. Ohno)

  4. Separation of californium from actinides and lanthanides in aqueous solution by electrochemical formation of amalgams

    International Nuclear Information System (INIS)

    The electrochemical reduction of transneptunium elements (Pu to Cf) and rare earths (Eu, Tm) from aqueous complexing solutions to amalgams was studied over a wide range of cathodic potentials in order to achieve optimal separation of californium. The reduction in acetate media (pH 4.5-4.6) at potentials around -1.7 to -1.9 V1 leads to a quantitative extraction of californium into the mercury phase, while more negative potentials are required for the reduction of the lighter transuranium elements and of the lanthanides. Hence, the optimal conditions for the separation of californium from the investigated actinides and lanthanides were determined. Separation factors α between 25 and 90 were found except in the case of Cf/Eu, where poor values (α varying from 7 to 12) were observed. More negative cathodic potentials decrease the selectivity of the reduction process. A similar study with lithium citrate solutions (pH ∝6) shows that satisfactory separation of californium from lighter and heavier actinides is achievable. A separation factor of 88 is obtained for Cf/Am at -1.98 V. The anodic stripping of mixed amalgams (Pu, Am, Cm, Bk, Tm and Cf) Hg in nitric and acetic acid soultions at potentials ranging from +0.1 to -0.7 V proceeds slowly and proved to be ineffective for the separation of californium from light actinides under conditions described. (orig.)

  5. High Resolution Fluorescence Imaging of Cancers Using Lanthanide Ion-Doped Upconverting Nanocrystals

    International Nuclear Information System (INIS)

    During the last decade inorganic luminescent nanoparticles that emit visible light under near infrared (NIR) excitation (in the biological window) have played a relevant role for high resolution imaging of cancer. Indeed, semiconductor quantum dots (QDs) and metal nanoparticles, mostly gold nanorods (GNRs), are already commercially available for this purpose. In this work we review the role which is being played by a relatively new class of nanoparticles, based on lanthanide ion doped nanocrystals, to target and image cancer cells using upconversion fluorescence microscopy. These nanoparticles are insulating nanocrystals that are usually doped with small percentages of two different rare earth (lanthanide) ions: The excited donor ions (usually Yb3+ ion) that absorb the NIR excitation and the acceptor ions (usually Er3+, Ho3+ or Tm3+), that are responsible for the emitted visible (or also near infrared) radiation. The higher conversion efficiency of these nanoparticles in respect to those based on QDs and GNRs, as well as the almost independent excitation/emission properties from the particle size, make them particularly promising for fluorescence imaging. The different approaches of these novel nanoparticles devoted to “in vitro” and “in vivo” cancer imaging, selective targeting and treatment are examined in this review

  6. Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants.

    Science.gov (United States)

    McCann, Billy W; Silva, Nuwan De; Windus, Theresa L; Gordon, Mark S; Moyer, Bruce A; Bryantsev, Vyacheslav S; Hay, Benjamin P

    2016-06-20

    Computer-aided molecular design and high-throughput screening of viable host architectures can significantly reduce the efforts in the design of novel ligands for efficient extraction of rare earth elements. This paper presents a computational approach to the deliberate design of bis-phosphine oxide host architectures that are structurally organized for complexation of trivalent lanthanides. Molecule building software, HostDesigner, was interfaced with molecular mechanics software, PCModel, providing a tool for generating and screening millions of potential R2(O)P-link-P(O)R2 ligand geometries. The molecular mechanics ranking of ligand structures is consistent with both the solution-phase free energies of complexation obtained with density functional theory and the performance of known bis-phosphine oxide extractants. For the case where the link is -CH2-, evaluation of the ligand geometry provides the first characterization of a steric origin for the "anomalous aryl strengthening" effect. The design approach has identified a number of novel bis-phosphine oxide ligands that are better organized for lanthanide complexation than previously studied examples. PMID:26883005

  7. Modulators of intestinal alkaline phosphatase.

    Science.gov (United States)

    Bobkova, Ekaterina V; Kiffer-Moreira, Tina; Sergienko, Eduard A

    2013-01-01

    Small molecule modulators of phosphatases can lead to clinically useful drugs and serve as invaluable tools to study functional roles of various phosphatases in vivo. Here, we describe lead discovery strategies for identification of inhibitors and activators of intestinal alkaline phosphatases. To identify isozyme-selective inhibitors and activators of the human and mouse intestinal alkaline phosphatases, ultrahigh throughput chemiluminescent assays, utilizing CDP-Star as a substrate, were developed for murine intestinal alkaline phosphatase (mIAP), human intestinal alkaline phosphatase (hIAP), human placental alkaline phosphatase (PLAP), and human tissue-nonspecific alkaline phosphatase (TNAP) isozymes. Using these 1,536-well assays, concurrent HTS screens of the MLSMR library of 323,000 compounds were conducted for human and mouse IAP isozymes monitoring both inhibition and activation. This parallel screening approach led to identification of a novel inhibitory scaffold selective for murine intestinal alkaline phosphatase. SAR efforts based on parallel testing of analogs against different AP isozymes generated a potent inhibitor of the murine IAP with IC50 of 540 nM, at least 65-fold selectivity against human TNAP, and >185 selectivity against human PLAP. PMID:23860652

  8. Alkaline battery, separator therefore

    Science.gov (United States)

    Schmidt, George F. (Inventor)

    1980-01-01

    An improved battery separator for alkaline battery cells has low resistance to electrolyte ion transfer and high resistance to electrode ion transfer. The separator is formed by applying an improved coating to an electrolyte absorber. The absorber, preferably, is a flexible, fibrous, and porous substrate that is resistant to strong alkali and oxidation. The coating composition includes an admixture of a polymeric binder, a hydrolyzable polymeric ester and inert fillers. The coating composition is substantially free of reactive fillers and plasticizers commonly employed as porosity promoting agents in separator coatings. When the separator is immersed in electrolyte, the polymeric ester of the film coating reacts with the electrolyte forming a salt and an alcohol. The alcohol goes into solution with the electrolyte while the salt imbibes electrolyte into the coating composition. When the salt is formed, it expands the polymeric chains of the binder to provide a film coating substantially permeable to electrolyte ion transfer but relatively impermeable to electrode ion transfer during use.

  9. Lanthanide-doped nanoparticles as the active optical medium in polymer-based devices

    OpenAIRE

    Stouwdam, Jan Willem

    2004-01-01

    The luminescence of lanthanide ions in organic environment is greatly reduced compared to inorganic materials. This thesis describes the doping of the lanthanide ions in the core of inorganic nanoparticles that are soluble in organic solvents as a way to shield the lanthanide ions from the organic environment and thus to increase the luminescence properties.

  10. Lanthanide-cored fluorinated dendrimer complexes: synthesis and luminescence characterization

    International Nuclear Information System (INIS)

    Eu3+-, Tb3+- and Er3+-cored dendrimer complexes were prepared by self-assembly of three fluorinated dendrons, each with a carboxylate anion focal point, around the lanthanide ion. Energy transfer from the peripheral fluorinated phenyl moieties of the dendrons to the lanthanide cation was evidenced spectroscopically for Eu3+- and Tb3+-cored dendrimer complexes in solution. The excitation of perfluorinated aromatic groups was found to decay with ca. 0.7 ns and a longer decay time 10-13 ns was related to the coordination at the Ln3+ focal point. Luminescence from the lanthanide core decays with lifetime in the range 1-1.5 ms over a wide concentration range (μM-mM), similar to the luminescence decay time of the corresponding acetate ion complexes in D2O. The main quenching mechanism of the lanthanide emission appears to be due to vibrations among surrounding C-H bonds of the intermediate shell of the flexible dendrimer scaffold. Antenna effect and energy harvesting from the surface of the dendrimer and transfer to the core was the main mechanism for luminescecnce in the dendrimer complexes with lanthanide cations

  11. Leaching of Some Lanthanides from Phosphogypsum Fertilizers by Mineral Acids

    International Nuclear Information System (INIS)

    The phosphate rock contains trace amounts of uranium and lanthanides. When treating this rock with H2SO4 produces phosphoric acid together with 5 times of its quantity of phosphogypsum (PG) precipitate as a by-product. The lanthanides in the rock are mostly present in the PG. After a slight modification of the precipitated PG, some portion of the PG is used as a low grade phosphate fertilizer (PGF) containing ∼ 2% P2O5. Leaching of different lanthanides from PGF by the mineral acids solutions namely; HCl, H2SO4 and HNO3 is investigated in relation the acid concentration, the mixing time, and acid volume to mass of PGF ratio (L/S) as well as temperature. It is found that the highest leaching efficiency was obtained using 3 .0 M HNO3 , L / S = 3.0 and mixing time of 3.0 hr , at room temperature. The total lanthanides content in the PGF, was found to be about 480 mg/kg. After three cycle of leaching, the leached out lanthanides from PGF was more than 66 %

  12. Analytical-scale separations of lanthanides : a review of techniques and fundamentals.

    Energy Technology Data Exchange (ETDEWEB)

    Nash, K. L.; Jensen, M. P.

    1999-10-27

    Separations chemistry is at the heart of most analytical procedures to determine the rare earth content of both man-made and naturally occurring materials. Such procedures are widely used in mineral exploration, fundamental geology and geochemistry, material science, and in the nuclear industry. Chromatographic methods that rely on aqueous solutions containing complexing agents sensitive to the lanthanide cationic radius and cation-exchange phase transfer reactions (using a variety of different solid media) have enjoyed the greatest success for these procedures. In this report, they will briefly summarize the most important methods for completing such analyses. they consider in some detail the basic aqueous (and two-phase) solution chemistry that accounts for separations that work well and offer explanations for why others are less successful.

  13. Preparation and properties of yttrium, lanthanum and lanthanide o-nitrobenzoates

    International Nuclear Information System (INIS)

    The conditions of the formation of yttrium, lanthanum and lanthanide o-nitrobenzoates were studied and their quantitative composition and solubilities in water at 298 K were determined (their solubilities are of the order of 10-2 moldm-3). The IR and X-ray spectra for the obtained complexes and the dehydrated rare earth element o-nitrobenzoates were recorded; all prepared complexes are crystalline compounds. The conditions of thermal decomposition of the complexes were also studied. It was found that on heating above 523 K the complexes decompose explosively and undergo a melting process at the same time. Therefore the thermal decomposition for complexes being studied was carried out in the temperature range 273-523 K. From the results it appears that during the dehydration process or with the increase of temperature no transformation of the nitro group to nitrito occurs. (Author)

  14. Lanthanide co-doped paramagnetic spindle-like mesocrystals for imaging and autophagy induction.

    Science.gov (United States)

    Xu, Yun-Jun; Lin, Jun; Lu, Yang; Zhong, Sheng-Liang; Wang, Lei; Dong, Liang; Wu, Ya-Dong; Peng, Jun; Zhang, Li; Pan, Xiao-Feng; Zhou, Wei; Zhao, Yang; Wen, Long-Ping; Yu, Shu-Hong

    2016-07-21

    We synthesized two novel lanthanide doped spindle-like mesocrystals, YF3:Ce,Eu,Gd and YF3:Ce,Tb,Gd (abbreviated as YEG and YTG mesospindles, respectively). Both of them possess paramagnetic and fluorescent properties, and their excellent cyto-compatibility and low haemolysis are further confirmed. Therefore, they could act as dual mode contrast agents for magnetic resonance imaging (MRI) and fluorescence imaging. Furthermore, YEG and YTG mesospindles induce dose and time dependent autophagy by activating the PI3K signaling pathway. The autophagy induced by YEG and YTG mesocrystals is confirmed by enhanced autophagosome formation, normal cargo degradation, and no disruption of lysosomal function. This work is important to illustrate how rare-earth mesocrystals affect the autophagic pathway, indicating the potential of the YEG and YTG mesospindles in diagnosis and therapy. PMID:27346838

  15. Sub-monolayer film growth of a volatile lanthanide complex on metallic surfaces

    Directory of Open Access Journals (Sweden)

    Hironari Isshiki

    2015-12-01

    Full Text Available We deposited a volatile lanthanide complex, tris(2,2,6,6-tetramethyl-3,5-heptanedionatoterbium(III, onto metal surfaces of Cu(111, Ag(111 and Au(111 in vacuum and observed well-ordered sub-monolayer films with low temperature (5 K scanning tunneling microscopy. The films show a distorted three-fold symmetry with a commensurate structure. Scanning tunneling spectroscopy reveals molecular orbitals delocalized on the ligands of the molecule. Our results imply that this complex can be transferred onto the metal substrates without molecular decomposition or contamination of the surface. This new rare-earth-based class of molecules broadens the choice of molecular magnets to study with scanning tunneling microscopy.

  16. Analytical-scale separations of lanthanides : a review of techniques and fundamentals

    International Nuclear Information System (INIS)

    Separations chemistry is at the heart of most analytical procedures to determine the rare earth content of both man-made and naturally occurring materials. Such procedures are widely used in mineral exploration, fundamental geology and geochemistry, material science, and in the nuclear industry. Chromatographic methods that rely on aqueous solutions containing complexing agents sensitive to the lanthanide cationic radius and cation-exchange phase transfer reactions (using a variety of different solid media) have enjoyed the greatest success for these procedures. In this report, they will briefly summarize the most important methods for completing such analyses. they consider in some detail the basic aqueous (and two-phase) solution chemistry that accounts for separations that work well and offer explanations for why others are less successful

  17. Lanthanide ion complexes of calixarenes. Pt. VII

    International Nuclear Information System (INIS)

    Reaction of Ln(ClO4)3.xdmso (dmso denotes dimethyl sulfoxide) with a warm p-t-butylcalix[8]arene (L) slurry in acetone/dmso yields crystalline 2:1 Ln/ligand adducts, characterized as dmso solvates and established to be [Ln2(L-6H)(dmso)5].∼2dmso by single-crystal X-ray studies at c. 295 K for Ln = La, Eu, Tm and Lu. All complexes are isomorphous, orthorhombic with a similar complex molecule in each case, one half comprising the asymmetric unit; the second half is generated by a crystallographic twofold axis. The two lanthanide atoms are encompassed by the macrocycle and are eight coordinate, involving phenolic and dmso O-donor atoms, five of the former (two bridging) and three of the latter (one bridging). The array closely resembles that found in analogous dmf solvent adducts: the bridging dmso lies on the crystallographic twofold axis through the complex, its peripheral atoms being modelled by disorder. 25 refs., 3 tabs., 1 fig

  18. 与碳酸岩-碱性杂岩体相关的内生稀土矿床成矿作用研究进展%Review of the Metallogenesis of the Endogenetic Rare Earth Elements Deposits Related to Carbonatite-Alkaline Complex

    Institute of Scientific and Technical Information of China (English)

    宋文磊; 许成; 王林均; 吴敏; 曾亮; 王丽泽; 冯梦

    2013-01-01

    The geological characteristics and mineralization of the endogenetic rare earth elements (REE) deposits related with carbonatite-alkaline complexes are reviewed.The REE deposits mainly include primary magmatic and hydrothermal types.The former is relatively rare,and REE minerals crystallized from carbonatite magma.The REE minerals in hydrothermal deposits are intergrowth with calcite,fluorite,barite,quartz.They occur as ore veins intruding carbonatite-alkaline complexes and wall rocks,or as fracture or void filling fine-grained,polycrystalline aggregates overprinting earlier carbonatitic minerals.Previous researches showed that REE mineralization was controlled by the crystallization and accumulation of carbonate minerals during carbonatitc magma-hydrothermal processes.However,REE enrichment mechanism is still debate,i.e.liquid immiscibility of carbonate-silicate magmas,fractional crystallization of carbonate minerals from carbonatite magma,extraction of carbonatitic liquids,and hydrothermal alteration of carbonatites.Note carbonatites normally show light REE enrichment and mineralization,and absent heavy REE minerals.Therefore,high temperature and pressure experiments on REE partition coefficients between volatile-rich carbonate and alkaline silicate melts or fluids,and REE partition behavior between carbonate and co-precipitating minerals during carbonatite magma evolution,will be a key to reveal the REE mineralization mechanism.%综述与碳酸岩-碱性杂岩体相关的内生稀土矿床的基本特征和成矿作用研究进展.根据矿化特征,该类矿床大体可以分为原生岩浆型和热液型,前者稀土矿物是从碳酸岩岩浆中直接结晶出来,矿化主要产于碳酸岩岩体中;后者稀土矿物通常与方解石、萤石、重晶石、石英等矿物共生形成脉体,穿插于碳酸岩杂岩体及围岩中,或作为裂隙或空洞充填物,或呈细粒多晶集合体叠加在碳酸岩中早期形成的矿物之上.以往的研究

  19. Luminescence properties of lanthanide and ytterbium lanthanide titanate thin films grown by atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Per-Anders, E-mail: p.a.hansen@kjemi.uio.no; Fjellvåg, Helmer; Nilsen, Ola [Department of Chemistry, Centre for Materials Science and Nanotechnology, University of Oslo, Sem Sælandsvei 26, 0371 Oslo (Norway); Finstad, Terje G. [Department of Physics, Centre for Materials Science and Nanotechnology, University of Oslo, Sem Sælandsvei 24, 0371 Oslo (Norway)

    2016-01-15

    Lanthanide based luminescent materials are highly suitable as down conversion materials in combination with a UV-absorbing host material. The authors have used TiO{sub 2} as the UV-absorbing host material and investigated the energy transfer between TiO{sub 2} and 11 different lanthanide ions, Ln{sup 3+} (Ln = La, Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb) in thin films grown by atomic layer deposition. They have also investigated the possibility to improve the overall energy transfer from TiO{sub 2} to Yb{sup 3+} with a second Ln{sup 3+}, in order to enhance down conversion. The films were grown at a substrate temperature of 300 °C, using the Ln(thd){sub 3}/O{sub 3} (thd = 2,2,6,6-tetramethyl-3,5-heptanedione) and TiCl{sub 4}/H{sub 2}O precursor pairs. The focus of the work is to explore the energy transfer from TiO{sub 2} to Ln{sup 3+} ions, and the energy transfer between Ln{sup 3+} and Yb{sup 3+} ions, which could lead to efficient down conversion. The samples have been characterized by x-ray diffraction, x-ray fluorescence, spectroscopic ellipsometry, and photoluminescence. All films were amorphous as deposited, and the samples have been annealed at 600, 800, and 1000 °C in order to investigate the correlation between the crystallinity and luminescence. The lanthanum titanium oxide samples showed a weak and broad emission centered at 540 nm, which was absent in all the other samples, indicating energy transfer from TiO{sub 2} to Ln{sup 3+} in all other lanthanide samples. In the amorphous phase, all samples, apart from La, Tb, and Tm, showed a typical f-f emission when excited by a 325 nm HeCd laser. None of the samples showed any luminescence after annealing at 1000 °C due to the formation of Ln{sub 2}Ti{sub 2}O{sub 7}. Samples containing Nd, Sm, and Eu show a change in emission spectrum when annealed at 800 °C compared to the as-deposited samples, indicating that the smaller lanthanides crystallize in a different manner than the larger

  20. Synthesis and characterization of lanthanide picrate complexes with 4-picoline-N-oxide (4-pic N O)

    International Nuclear Information System (INIS)

    The lanthanide picrate complexes with 4-picoline-N-oxide were obtained from ethanolic solutions of the hydrated lanthanide picrate and the ligand. The lanthanide content was determined by complexometric titration with EDTA. Carbon, Nitrogen and Hydrogen were determined by microanalytical procedures. Chemical analysis of the lanthanide picrate complexes are also presented. (author)

  1. The electronic structure of the lanthanides and actinides, a comparison

    International Nuclear Information System (INIS)

    Full text: Optical spectra of the two f-element series (the lanthanides and actinides) are comparable in many respects. For the trivalent ions isolated in single crystals, both series exhibit rich, narrow line spectra. These data can be analysed in terms of a parametric model based on a free-ion Hamiltonian plus the addition of a crystal field Hamiltonian. For most systems the agreement between the calculated and experimental energy levels is quite good. In the actinide series there appears to be a correlation between the magnitude of the crystal field and the inadequacy of the fits. The early actinides exhibit multiple oxidation states for which there is no precedent in the lanthanide series. The parametric model mentioned earlier has been utilized for some tetravalent actinide systems with reasonably good results. A selective survey of results describing the similarities and differences of various lanthanide and actinide systems will be given

  2. 'Americium(III)/trivalent lanthanides' separation using organothiophosphinic acids

    International Nuclear Information System (INIS)

    The present paper describes the extraction of neodymium and other lanthanides by saponified Cyanex 301 acid. The saponification of commercial Cyanex 301 acid favoured the extraction of macro concentrations of neodymium from sodium nitrate aqueous solutions (pHeq ∼ 4). The amount of lanthanide extracted in the organic phase always reached the third of the initial concentration of saponified Cyanex 301 acid, which assumed a cation exchange mechanism to occur during the extraction. No nitrate anion took part in the complex formation. This paper also compares the abilities of purified Cyanex 301, Cyanex 302 and Cyanex 272 acids to extract and separate 241Am(III) from 152Eu(III). Very high separation factors S.F.Am/Eu were observed in the case of purified Cyanex 301 acid. Finally some studies are presented herein using tri-n-butylphosphate (TBP) as a synergistic extractant with Cyanex 301 acid to separate actinides from trivalent lanthanide. (author)

  3. Determination of stability constants of lanthanide complexes with tetracycline

    International Nuclear Information System (INIS)

    The stability constants of complexes compounds formed with tetracycline and lanthanides elements were determined for all lanthanides except promethium. The experimental procedure used was solvent extraction of the lanthanides labelled with their radioactive isotopes. It was shown that the formed complexes are mononuclear and that no hydroxo complexes or negatively charged complexes are formed in the experimental conditions of this work. Four methods of calculation were used for all complexes studied: the method of the average number of ligands, the method of limiting value, the method of two parameters and the method of weighted least squares. A comparison was made of the graphical methods with the method of least squares, showing the convenience of preceding least squares calculation by the graphical methods, in order to verify eventual mistakes of numerical data. It was shown the advantage of using radioisotopes of the elements for such a study, specially if the solvent extraction technique is used to-get the experimental data. (author)

  4. Lanthanide and actinide complexation studies with tetradentate 'N' donor ligands

    International Nuclear Information System (INIS)

    Because of their similar charge and chemical behaviour separation of trivalent actinides and lanthanides is an important and challenging task in nuclear fuel cycle. Soft (S,N) donor ligands show selectivity towards the trivalent actinides over the lanthanides. Out of various 'N' donor ligands studied, bis(1,2,4)triazinyl bipyridine (BTBP) and bis(1,2,4)triazinyl phenanthroline (BTPhen) were found to be most promising. In order to understand the separation behaviour of these ligands, their complexation studies with these 'f' block elements are essential. In the present work, complexation studies of various lanthanide ions (La3+, Eu3+ and Er3+) was studied with ethyl derivatives of BTBP (C2BTBP) and BTBPhen (C2BTPhen) and pentyl derivative of BTBP (C5BTBP) in acetonitrile medium using UV-Vis spectrophotometry, fluorescence spectroscopy and solution calorimetry. Computational studies were also carried out to understand the experimental results

  5. The alkaline and alkaline-carbonatite magmatism from Southern Brazil

    Science.gov (United States)

    Ruberti, E.; Gomes, C. D. B.; Comin-Chiaramonti, P.

    2015-12-01

    Early to Late Cretaceous lasting to Paleocene alkaline magmatism from southern Brazil is found associated with major extensional structural features in and around the Paraná Basin and grouped into various provinces on the basis of several data. Magmatism is variable in size, mode of occurrence and composition. The alkaline rocks are dominantly potassic, a few occurrences showing sodic affinity. The more abundant silicate rocks are evolved undersaturated to saturated in silica syenites, displaying large variation in igneous forms. Less evolved types are restricted to subvolcanic environments and outcrops of effusive suites occur rarely. Cumulatic mafic and ultramafic rock types are very common, particularly in the alkali-carbonatitic complexes. Carbonatite bodies are represented by Ca-carbonatites and Mg-carbonatites and more scarcely by Fe-carbonatites. Available radiometric ages for the alkaline rocks fit on three main chronological groups: around 130 Ma, subcoveal with the Early Cretaceous flood tholeiites of the Paraná Basin, 100-110 Ma and 80-90 Ma (Late Cretaceous). The alkaline magmatism also extends into Paleocene times, as indicated by ages from some volcanic lavas. Geochemically, alkaline potassic and sodic rock types are distinguished by their negative and positive Nb-Ta anomalies, respectively. Negative spikes in Nb-Ta are also a feature common to the associated tholeiitic rocks. Sr-Nd-Pb systematics confirm the contribution of both HIMU and EMI mantle components in the formation of the alkaline rocks. Notably, Early and Late Cretaceous carbonatites have the same isotopic Sr-Nd initial ratios of the associated alkaline rocks. C-O isotopic Sr-Nd isotopic ratios indicate typical mantle signature for some carbonatites and the influence of post-magmatic processes in others. Immiscibility of liquids of phonolitic composition, derived from mafic alkaline parental magmas, has been responsible for the origin of the carbonatites. Close association of alkaline

  6. Lanthanides' enhancing absorption of insulin and reduction of blood glucose of rat by pulmonary administration

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    To explore the possibility of lanthanides as the enhancer of insulin absorption, the promoting effects of lanthanide ions on the absorption of intrapulmonary delivered insulin and reduction of blood glucose were investigated by means of two approaches, preadministration and coadministration of lanthanide ions with insulin. The results indicate that, compared with the results of those given insulin only, lanthanide ions can effectively enhance the level of insulin and the reduction of glucose level in blood. These effects are dependent on lanthanide species and their concentrations. The mechanism was discussed.

  7. Environmental applications of lanthanide counterions bound to reverse micelles

    International Nuclear Information System (INIS)

    The lanthanide surfactants of the formula [Ln(EHS)3] [where EHS - bis(2-ethylhexyl) sulfosuccinate and Ln = Tb(III)or Eu(III)] have been synthesized from aerosol OT, and used to detect select organic analytes. This technique is based on the ability of the lanthanide ions to transform the energy absorbed by the organic compounds into a visible lanthanide ion emission via intermolecular energy transfer. When dissolved in an organic solvent, the surfactants form reverse micelles which provide molecular organization of the donor and acceptor species to come into close contact for energy transfer. An enhancement of the sensitized luminescence of the lanthanide counterions have been demonstrated in the presence of many organic analytes. The results show that a significant enhancement can be achieved by using an organic analyte containing a polar substituent. The observed efficient sensitization of the lanthanide ions is used for the determination of select organic analytes. Many of the organic analytes used are potential pollutants and carcinogens. Therefore, this procedure is more likely to provide a detection scheme to selectively analyze water for environmentally important pollutants such as polychlorobiphenyls. 1H NMR spectroscopy has been used to establish the interaction between the organic analyte donor and lanthanide ion acceptor and then examine the relative locations of various photosensitive species present in the reverse micellar solution. This information was derived from changes in the chemical shift and resolution of both the analyte and the surfactant protons upon solubilization of the donor in the micellar solution. These data are used to estimate the average distance between the donor and the acceptor in this analytical scheme. The ability and the effectiveness of these surfactants to act as NME shift reagents is discussed

  8. Alkaline earth-gold-aluminides. Synthesis and structure of SrAu{sub 3}Al{sub 2}, SrAu{sub 2.83}Al{sub 2.17}, BaAu{sub 2.89}Al{sub 2.11} and BaAu{sub 7.09}Al{sub 5.91}

    Energy Technology Data Exchange (ETDEWEB)

    Gerke, Birgit; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2015-07-01

    New alkaline earth-gold-aluminides were synthesized from the elements in sealed tantalum or quartz ampoules in muffle furnaces at maximum annealing temperatures of 1325 K. The structures were refined from single crystal X-ray diffractometer data. SrAu{sub 3}Al{sub 2} crystallizes in an ordered version of the LT-SrZn{sub 5} structure: Pnma, a = 1315.9(3), b = 549.0(1), c = 684.5(3) pm, wR2 = 0.0232, 930 F{sup 2} values, 35 variables. SrAu{sub 2.83}Al{sub 2.17} (a = 1065.0(2), b = 845.0(2), c = 548.1(1) pm, wR2 = 0.0416, 452 F{sup 2} values, 22 variables) and BaAu{sub 2.89}Al{sub 2.11} (a = 1096.1(3), b = 835.7(3), c = 554.0(1) pm, wR2 = 0.0280, 501 F{sup 2} values, 22 variables) both adopt the BaZn{sub 5} type, space group Cmcm with Au/Al mixing on the 4c site. The gold and aluminum atoms in both types form three-dimensional networks of condensed tetrahedra with the strontium and barium atoms in large cavities. BaAu{sub 7.09}Al{sub 5.91} is a new member of the NaZn{sub 13} type: Fm anti 3c, a = 1257.6(2) pm, wR2 = 0.0267, 168 F{sup 2} values, 12 variables. Both the 96i and 8b sites show Au/Al mixing. The crystal chemical details are discussed.

  9. Separation of lanthanides through hydroxyapatite; Separacion de lantanidos mediante hidroxiapatita

    Energy Technology Data Exchange (ETDEWEB)

    Garcia M, F.G

    2006-07-01

    With the objective of obtaining from an independent way to each one of the lanthanides {sup 151} Pm, {sup 161} Tb, {sup 166} Ho and {sup 177} Lu free of carrier and with high specific activities starting from the indirect irradiation via, it intends in this work to determine the viability of separation of the couples Nd/Pm, Dy/Ho, Gd/Tb and Yb/Lu, by means of ion exchange column chromatography, using hydroxyapatite (HAp) and fluorite like absorbent material in complexing media. It is important to mention that have registered separation studies among lanthanides of the heavy group with those of the slight group, using the same mass and, in comparison with this work, quantities different from the father were used and of the son, also, that the separation studies were carried out among neighboring lanthanides. In this investigation, it was determined the effect that its have the complexing media: KSCN, sodium tartrate, sodium citrate, EDTA and aluminon, their pH and concentration, in the adsorption of the lanthanides in both minerals, in order to determine the chromatographic conditions for separation of the couples Nd/Pm, Dy/Ho, Gd/Tb and Yb/Lu. The work consists of five chapters, in the first one they are presented a theoretical introduction of the characteristics more important of the lanthanides, the hydroxyapatite and the fluorite; in the second, it is deepened in the ion exchange, as well as the two techniques (XRD and High Vacuum Electron Microscopy) to make the characterization of LnCI{sub 3} (Ln = Nd, Gd, Dy or Yb) synthesized. The third chapter, it describes the methodology continued in our experimental work; in the room, its are presented the obtained results of the static and dynamic method to determine the viability of separation of neighboring lanthanides; and finally, the five chapter shows the conclusions. In this study, it is concludes that the separation among neighboring lanthanides cannot be carried out in the minerals and used media; because

  10. Recent Advances in Organic Reactions Catalyzed by Lanthanide (Ⅲ) Complexes

    Institute of Scientific and Technical Information of China (English)

    CHEN,Rui-Fang(陈瑞芳); QIAN,Chang-Tao(钱长涛)

    2002-01-01

    Lanthanide compounds have been attracting much attention in organic synthesis. Chiral Ln-substituted BINOL have been widely studied in several asymmetric organic reactions. LnCl3 and Ln(OTf)3 have been expected to serve as Lewis acids and have been applied to many important synthetic reactions in a one-pot manner. Ln(O-i-Pr)3 exhibits some basic characters,which also can be utilized in some special organic transformation. This article deals with some lanthanides (Ⅲ) complexes promoted organic reactions, which we have recently developed.

  11. Energy level diagram for lanthanide-doped lanthanum orthovanadate

    International Nuclear Information System (INIS)

    Based on temperature dependent photoconductivity, excitation, and emission measurements we have established the absolute location of 4f energy levels of Pr3+, Eu2+ and Tb3+ doped in LaVO4. In combination with an empirical model describing a systematic and material independent variation of the 4f ground states of tri- and divalent lanthanides this information was used to predict the corresponding absolute energy level positions of all the other lanthanides in the same compound. The results of our work are presented in a complete energy level diagram for LaVO4:Ln (Ln = La, Ce, Pr, ..., Lu)

  12. Energy level diagram for lanthanide-doped lanthanum orthovanadate

    Energy Technology Data Exchange (ETDEWEB)

    Krumpel, Andreas H. [Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft (Netherlands)], E-mail: a.h.krumpel@tudelft.nl; Kolk, Erik van der; Dorenbos, Pieter [Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft (Netherlands); Boutinaud, Philippe [Laboratoire des Materiaux Inorganiques, UMR 6002, Universite Blaise-Pascal et ENSCCF, Aubiere (France); Cavalli, Enrico [Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Universita di Parma, Parma (Italy); Bettinelli, Marco [Dipartimento Scientifico e Tecnologico, Universita di Verona, and INSTM, UdR Verona, Verona (Italy)

    2008-01-15

    Based on temperature dependent photoconductivity, excitation, and emission measurements we have established the absolute location of 4f energy levels of Pr{sup 3+}, Eu{sup 2+} and Tb{sup 3+} doped in LaVO{sub 4}. In combination with an empirical model describing a systematic and material independent variation of the 4f ground states of tri- and divalent lanthanides this information was used to predict the corresponding absolute energy level positions of all the other lanthanides in the same compound. The results of our work are presented in a complete energy level diagram for LaVO{sub 4}:Ln (Ln = La, Ce, Pr, ..., Lu)

  13. Lanthanide carbonate-phosphate complexes of different ligands

    International Nuclear Information System (INIS)

    Previously undescribed carbonate-phosphate complexes of lanthanides (Ln) have been derived. Their optical and luminescent properties have been stUdied. It is shown that the lanthanide ions may form in solutions highly charged anions preferably corresponding to formulas: [NdCO3(PO4)3]8-, [HoCO3(PO4)3]8- and [Er(CO3)2(PO4)]10-. The stability constants (Ksub(st)) of the resulting heteroligand complexes have been determined. A new version of the luminescent method of determining the composition of carbonate-phosphate complexes of Eu is suggested

  14. Uranium prospecting in alkaline mountain chimneys of Serra Negra and Salitre - Minas Gerais, Brasil

    International Nuclear Information System (INIS)

    The occurence of radioactive minerals such as apatite and pyrochlore, in the alkaline chimneys of Serra Negra and Salitre (Minas Gerais, Brazil), is discussed. Also mentioned are other minerals of interest associated with the alkaline magma such as columbite, fluorite, monazite, zircon, baddeleyite, etc, which in favourable conditions may occur in deposits of great economical value, and which may present high contents of rare earths, thorium and uranium

  15. Shear viscosity of alkali and alkaline earth titanium silicate liquids

    OpenAIRE

    Dingwell, Donald B.

    1992-01-01

    The shear viscosities of l3 silicate liquids along the NarSiOr-TiO, and CaSiOr-TiO, joins as well as six liquids based on the sphene stoichiometry X#TiSiO. (where X represents Li, Na, K, Rb, Cs, Ca, and Sr) have been measured in equilibrium with air using the concentric cylinder method. The NarSiOr-TiO, join was investigated from l0 to 50 mol0/oT iO, in the temperaturer ange 1000-1150 "C, whereast he CaSiO3-TiO,jo in was investigated from l0 to 80 molo/oT iO, in the temperature range of 1400-...

  16. Synthesis of complex plutonium oxides with alkaline-earth metals

    International Nuclear Information System (INIS)

    Complex plutonium(IV) oxides with strontium and barium, SuPuO3 and BaPuO3, were synthesized and their crystal structure was analyzed. Compacted mixture of plutonium dioxide powder and the carbonate of strontium or barium was heated in a stream of argon gas using a cell with a small orifice. The products obtained were found to be composed of a nearly single phase showing the structure of orthorhombic slightly distorted from cubic. (author)

  17. Correlates of long-term alkaline earth retention

    International Nuclear Information System (INIS)

    Data on 63 subjects from several occupational cohorts, plus iatrogenic subjects, were analyzed to determine effects of sex, age at exposure, exposure duration, and age at measurement upon the coefficient of elimination (λ, % y-1). While 12 women exposed at age 17-18 had λ's significantly lower than those exposed at ages 15-16 or 21-26, λ showed no overall trend with age at exposure among females. Higher radium burdens associated with bone damage are associated with decreased λ's, but neither exposure duration nor age at measurement correlated significantly with λ. The 12 males had λ's about 60% of those for females after adjustment for retention time. The males λ's were lower the earlier the age at exposure. Effects of personal habits were studied in a homogeneous cohort of female Illinois dial painters with relatively uniform ages at first employment. The most powerful predictor of radium loss was the number of cups of coffee and tea consumed per day. Coffee/tea consumption explained ∼ 35% of the variance in λ, the effect persisting after deletion of smokers and subjects with x-ray evidence of bone damage. Higher weight/height ratios were associated with higher λ's. Individuals smoking throughout the measurement period had significantly low λ's. A complex interaction of weight/height ratios to both smoking and radium-induced bone damage was observed

  18. Alkaline earth alkyl insertion chemistry of in situ generated aminoboranes.

    Science.gov (United States)

    Bellham, Peter; Hill, Michael S; Kociok-Köhn, Gabriele; Liptrot, David J

    2013-01-21

    Reactions of equimolar quantities of secondary amine boranes, R(2)NH·BH(3), with the homoleptic group 2 alkyl compounds [M{CH(SiMe(3))(2)}(2)(THF)(2)] (M = Mg, Ca, Sr) provide the alkyl group 2 amido borane derivatives [M{CH(SiMe(3))(2)}{NR(2)BH(3)}(THF)](2). While the strontium derivatives of reactions with dimethylamine and pyrrolidine borane are stable and isolable compounds, the analogous magnesium and calcium compounds are found to be unstable at room temperature. Studies of the thermolysis of the alkylstrontium derivatives have allowed this instability to be rationalised as a result of β-hydride elimination, the facility of which varies with changing M(2+) charge density, to form the products of M-C insertion of H(2)B=NR(2). Subsequent to this process, alkylaminoboranes, [HB(NR(2)){CH(SiMe(3))(2)}], are observed to form through a further suggested β-hydride elimination reaction. This chemistry is also extended to the reaction of the primary amine borane (t)BuNH(2)·BH(3) with [Sr{CH(SiMe(3))(2)}(2)(THF)(2)]. In this case the crystal structure of a heteroleptic species, which may be considered as a tetrameric aggregate of two [Sr{CH(SiMe(3))(2)}{(NH(t)Bu)BH(3)}(2)] anions and two cationic [Sr{(NH(t)Bu)(BH(3))}(THF)(2)] components, has been determined. Kinetic studies of the reactions of [M{CH(SiMe(3))(2)}(2)(THF)(2)] (M = Mg, Ca, Sr) with dimethylamine borane have also been undertaken and describe a complex mechanism in which the barriers to formation of the various intermediate species are a consequence of M(2+) radius and resultant charge density as well as the steric demands of the coordinated amidoborane ligands. PMID:23070304

  19. Dissolution of alkaline earth sulfates in the presence of montmorillonite

    Science.gov (United States)

    Eberl, D.D.; Landa, E.R.

    1985-01-01

    In a study of the effect of montmorillonite on the dissolution of BaSO4 (barite), SrSO4 (celestite), and 226Ra from U mill tailings, it was found that: (1) More of these substances dissolve in an aqueous system that contains montmorillonite than dissolve in a similar system without clay, due to the ion exchange properties of the clay; (2) Na-montmorillonite is more effective in aiding dissolution than is Ca-montmorillonite; (3) the amount of Ra that moves from mill tailings to an exchanger increases as solution sulfate activity decreases. Leaching experiments suggest that 226Ra from H2SO4-circuit U mill tailings from Edgemont, South Dakota, is not present as pure Ra sulfate or as an impurity in anhydrite or gypsum; it is less soluble, and probably occurs as a trace constituent in barite.

  20. Dynamics of simple defect clusters in alkaline earth fluorides

    International Nuclear Information System (INIS)

    The effect of isolated F-vacancies and interstitials on the Dobye Waller Factors of their neighbours is studied. The perturbation due to the introduction of the defect is calculated using the scattering theory. The critical jump amplitude in the diffusion process is fitted to reproduce the experimental migration energy. The diffusion coefficient for the vacancy mechanism is estimated to be larger than that for the interstitialcy mechanism in the superionic region. (author). 21 refs, 8 figs, 2 tabs

  1. Aluminum/alkaline earth metal composites and method for producing

    Science.gov (United States)

    Russell, Alan M; Anderson, Iver E; Kim, Hyong J; Freichs, Andrew E

    2014-02-11

    A composite is provided having an electrically conducting Al matrix and elongated filaments comprising Ca and/or Sr and/or Ba disposed in the matrix and extending along a longitudinal axis of the composite. The filaments initially comprise Ca and/or Sr and/or Ba metal or allow and then may be reacted with the Al matrix to form a strengthening intermetallic compound comprising Al and Ca and/or Sr and/or Ba. The composite is useful as a long-distance, high voltage power transmission conductor.

  2. Thermodynamic models of alkaline-earth metal ion flotation

    International Nuclear Information System (INIS)

    Two thermodynamic models for predicting selectivity coefficients for the pairs Be2+/Cu2+, Mg2+/Cu2+, Ca2+/Cu2+, Sr2+/Cu2+, and Ba2+/Cu2+ in ion flotation with the dodecyl sulfate ion as a collector are compared. The dehydration model largely gives exaggerated results, and the cavity model gives both exaggerated and underestimated values compared with the experimental selectivity coefficients. The cavity model was found to better describe molecules and ions of different sizes

  3. The Assessment of Radioactive Body Burdens of the Alkaline Earths

    International Nuclear Information System (INIS)

    The difficulties in obtaining data on the metabolism of bone-seeking radioactive isotopes in man are widely appreciated, especially on the distribution of the isotope between different bones and the microscopic distribution within the same bone. If a full understanding of the metabolism in man is to be obtained, there is at present no alternative but to resort to the use of experimental animals. The calcium and strontium metabolism of the rabbit, which is the smallest animal to have similar skeletal structure to that of human bone, has been studied. The research was planned to include as many parameters as possible. These included specific activity measurements of plasma, urine and faeces, total retention in the skeleton as well as individual bones and in some cases soft tissue. In addition the microscopic distribution of the isotope was studied by quantitative autoradiographic techniques at different time intervals. The results have been considered in the light of various models proposed for the retention of bone-seeking isotopes in mammals and the limitations of each of these models have been assessed. Measurements have been made over sufficiently long time intervals compared with the life-span of the rabbit to enable predictions to be made about the long-term behaviour in man. The results indicate that none of the existing models is completely satisfactory but that a modification of the power function is the most useful. The importance of exchange, as well as resorption, for the removal of radioactive isotopes from the skeleton is well illustrated by the quantitative autoradiographic measurements. (author)

  4. Infrared absorption spectra of alkaline earth metal metaphosphates

    International Nuclear Information System (INIS)

    Infrared absorption spectra of Ba, Sr, Ca, Mg, Be metaphosphates in crystal and glass-like states are studied. Reference of absorption bands to the oscillations of the P=O, P-O- bonds and P-O-P bridges in complex anions is made. It is shown that α-Sr(PO3)2, β-Ca(PO3)0 and Be(PO3)2 are built of the [(POOsup(-)Osub(2/2))sub(4)] sub(infinity) chains of the C1 symmetry. According to spectral data calculated are the main characteristics of the P=o and P-O- bonds (force constants, bond order, interatomic distances). The main structural elements of glass-like metaphosphates are distorted (POO-Osub(2/2)) sub(infinity) chains connected in three-dimentional net

  5. Earth System Governance: Facing the Challenges of Climate Change

    Directory of Open Access Journals (Sweden)

    Susana Camargo Vieira

    2013-01-01

    Full Text Available YOUNG, Oran R. Institutional Dynamics: Emergent Patterns in International Environmental Governance. Cambridge (Massachusets, USA: The MIT Press, 2010. Earth System Governance Series. 225p. (Paperback; alkaline paper. ISBN 978-0-262-51440-8.

  6. Moessbauer effect of the alkaline and alkaline earth metal nitroprusside powders

    CERN Document Server

    Yang, T H; Kim, H S; Hong, C Y; Kim, H B; Cho, H Y; Kim, D Y; Moon, Y S

    2000-01-01

    We observe Moessbauer spectra of Fe atoms centered in nitroprusside anions of sodium nitroprusside (Na sub 2 [Fe(CN) sub 5 NO] 2H sub 2 O). potassium-nitroprusside (K sub 2 [Fe(CN)] sub 5 NO centre dot 2.5H sub 2 O), rubidium nitroprusside (Rb sub 2 [Fe(CN) sub 5 NO centre dot H sub 2 O), magnesium nitroprusside (Mg[Fe(CN) sub 5 NO], calcium nitroprusside (Ca[Fe(CN) sub 5 NO]centre dot 4H sub 2 O), and barium nitroprusside (Ba[Fe(CN) sub 5 NO]centre dot 3H sub 2 O) samples which have photochromic properties. We compare the Moessbauer parameters, the values of the isomer shifts and the quadrupole splittings of the samples with those of a sodium nitroprusside single crystal which is a standard material. The values of the isomer shifts and the quadrupole splittings of the various compounds are close to each other. The values of the line broadening of all samples are between 2.1 GAMMA sub N and 2.5 GAMMA sub N. The Moessbauer Lamb factors (f) are between 0.252(1) and 0.340(2). These values are obtained from the s...

  7. Energetics of Amino Acid Synthesis in Alkaline Hydrothermal Environments

    Science.gov (United States)

    Kitadai, Norio

    2015-12-01

    Alkaline hydrothermal systems have received considerable attention as candidates for the origin and evolution of life on the primitive Earth. Nevertheless, sufficient information has not yet been obtained for the thermodynamic properties of amino acids, which are necessary components for life, at high temperatures and alkaline pH. These properties were estimated using experimental high-temperature volume and heat capacity data reported in the literature for several amino acids, together with correlation algorithms and the revised Helgeson-Kirkham-Flowers (HKF) equations of state. This approach enabled determination of a complete set of the standard molal thermodynamic data and the revised HKF parameters for the 20 protein amino acids in their zwitterionic and ionization states. The obtained dataset was then used to evaluate the energetics of amino acid syntheses from simple inorganic precursors (CO2, H2, NH3 and H2S) in a simulated alkaline hydrothermal system on the Hadean Earth. Results show that mixing between CO2-rich seawater and the H2-rich hydrothermal fluid can produce energetically favorable conditions for amino acid syntheses, particularly in the lower-temperature region of such systems. Together with data related to the pH and temperature dependences of the energetics of amino acid polymerizations presented in earlier reports, these results suggest the following. Hadean alkaline hydrothermal settings, where steep pH and temperature gradients may have existed between cool, slightly acidic Hadean ocean water and hot, alkaline hydrothermal fluids at the vent-ocean interface, may be energetically the most suitable environment for the synthesis and polymerization of amino acids.

  8. Separation of rare earthes by extraction with neutral organophosphorus compounds in presence of complexones

    Science.gov (United States)

    Kopyrin, A. A.; Pyartman, A. K.; Keskinov, V. A.

    1999-01-01

    Physico-chemical and mathematical models of distribution of lanthanides(III) between watersalt solutions, containing salting-out agents, complexones (ethylendiaminetetraacetic (EDTA) and diethylen-thriaminepentaacetic acids (DTPA)) and neutral organophosphorus compounds (NOPC) are introduced. Examples of separation of rare earth elements concentrates with application of NOPC, complexones and ammonium nitrate is considered.

  9. Separation of the rare earths by anion-exchange in the presence of lactic acid

    Science.gov (United States)

    Faris, J. P.

    1969-01-01

    Investigation of adsorption of rare earths and a few other elements to an anion-exchange resin from mixed solvents containing lactic acid shows that the lanthanides are absorbed more strongly than from the alpha-hydroxyisobutryric acid system, but with less separation between adjacent members of the series.

  10. Computational discovery of lanthanide doped and Co-doped Y{sub 3}Al{sub 5}O{sub 12} for optoelectronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Choudhary, Kamal; Chernatynskiy, Aleksandr; Phillpot, Simon R.; Sinnott, Susan B. [Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611-6400 (United States); Mathew, Kiran [Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853 (United States); Bucholz, Eric W. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7907 (United States); Hennig, Richard G. [Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611-6400 (United States); Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853 (United States)

    2015-09-14

    We systematically elucidate the optoelectronic properties of rare-earth doped and Ce co-doped yttrium aluminum garnet (YAG) using hybrid exchange-correlation functional based density functional theory. The predicted optical transitions agree with the experimental observations for single doped Ce:YAG, Pr:YAG, and co-doped Er,Ce:YAG. We find that co-doping of Ce-doped YAG with any lanthanide except Eu and Lu lowers the transition energies; we attribute this behavior to the lanthanide-induced change in bonding environment of the dopant atoms. Furthermore, we find infrared transitions only in case of the Er, Tb, and Tm co-doped Ce:YAG and suggest Tm,Ce:YAG and Tb,Ce:YAG as possible functional materials for efficient spectral up-conversion devices.

  11. Geology and petrology of Lages Alkaline District, Santa Catarina State

    International Nuclear Information System (INIS)

    A 1:100.000 geological map shows the main outcrops, covering about 50 Km2, of the leucocratic alkaline rocks, ultra basic alkaline rocks, carbonatites and volcanic breccias which intruded the Gondwanic sedimentary rocks within a short time interval and characterize the Alkaline District of Lages. Chemical analyses of 33 whole-rock samples confirm the petrographic classification, but the agpaitic indexes, mostly below 1.0, do not reflect the mineralogical variations of the leucocratic alkaline rocks adequately. Partial REE analyses indicate that the light as well as the heavy rare earth contents decrease from the basic to the more evolved rocks, the La/Y ratio remaining approximately constant. Eleven new K/Ar ages from porphyritic nepheline syenites porphyritic phonolites, ultra basic alkaline rocks and pipe-breccias, together with six already available ages, show a major concentration in the range 65 to 75 Ma, with a mode at ca. 70 Ma. But one Rb/Sr whole-rock reference isochron diagram gives an age of 82+-6 Ma for the agpaitic phonolites of the Serra Chapada, which are considered younger than the miaskitic porphyriric nepheline syenites. The 87 Sr/86 Sr ratios of 0.705-0.706 are compatible with a sub continental mantelic origin, devoid of crustal contamination. A petrogenetic model based on subtraction diagrams and taking into consideration the geologic, petrographic, mineralogic and petrochemical characteristics of the alkaline rocks of Lages consists of limited partial melting with CO2, contribution of the previously metasomatized upper mantle, in a region submitted to decompression. (author)

  12. Upconversion lanthanide nanoparticles: design, properties and surface modifications

    Czech Academy of Sciences Publication Activity Database

    Kostiv, Uliana; Horák, Daniel

    Zagreb: University of Zagreb School of Medicine , 2015. s. 83-84. [GlowBrain Final Conference "Stem cell and biomaterial applications for brain repair". 27.05.2015-31.05.2015, Zagreb] R&D Projects: GA ČR(CZ) GA15-01897S Institutional support: RVO:61389013 Keywords : upconverting * nanoparticles * lanthanide Subject RIV: BO - Biophysics

  13. Luminescent Lanthanide Reporters for High-Sensitivity Novel Bioassays.

    Energy Technology Data Exchange (ETDEWEB)

    Anstey, Mitchell; Fruetel, Julia A.; Foster, Michael E.; Hayden, Carl C.; Buckley, Heather L.; Arnold, John

    2013-09-01

    Biological imaging and assay technologies rely on fluorescent organic dyes as reporters for a number of interesting targets and processes. However, limitations of organic dyes such as small Stokes shifts, spectral overlap of emission signals with native biological fluorescence background, and photobleaching have all inhibited the development of highly sensitive assays. To overcome the limitations of organic dyes for bioassays, we propose to develop lanthanide-based luminescent dyes and demonstrate them for molecular reporting applications. This relatively new family of dyes was selected for their attractive spectral and chemical properties. Luminescence is imparted by the lanthanide atom and allows for relatively simple chemical structures that can be tailored to the application. The photophysical properties offer unique features such as narrow and non-overlapping emission bands, long luminescent lifetimes, and long wavelength emission, which enable significant sensitivity improvements over organic dyes through spectral and temporal gating of the luminescent signal.Growth in this field has been hindered due to the necessary advanced synthetic chemistry techniques and access to experts in biological assay development. Our strategy for the development of a new lanthanide-based fluorescent reporter system is based on chelation of the lanthanide metal center using absorbing chromophores. Our first strategy involves %22Click%22 chemistry to develop 3-fold symmetric chelators and the other involves use of a new class of tetrapyrrole ligands called corroles. This two-pronged approach is geared towards the optimization of chromophores to enhance light output.

  14. Mass-spectrometric investigation of thermochemical properties of lanthanide chlorides

    Energy Technology Data Exchange (ETDEWEB)

    Sapegin, A.M.; Baluev, A.V.; Evdokimov, V.I. (AN SSSR, Chernogolovka. Inst. Novykh Khimicheskikh Problem)

    1984-12-01

    Ionization potentials are measured for ions formed during lanthanide chloride molecules ionization by an electron shock with the use of the improved technique of mass-spectral data processing. Energies of atomization and atomic bond scission in molecules of tri-, di-, and monochlorides are defined along with enthalpies of formation of these molecules in a gaseous state.

  15. Mass-spectrometric investigation of thermochemical properties of lanthanide chlorides

    International Nuclear Information System (INIS)

    Ionization potentials are measured for ions formed during lanthanide chloride molecules ionization by an electron shock with the use of the improved technique of mass-spectral data processing. Energies of atomization and atomic bond scission in molecules of tri-, di-, and monochlorides are defined along with enthalpies of formation of these molecules in a gaseous state

  16. Far-infrared spectra of lanthanide complexes with 8-hydroxyquinoline

    International Nuclear Information System (INIS)

    Vibrational spectra of lanthanide oxines have been measured in the far-infrared region. In addition, the similar yttrium complex was investigated for further experimental evidence for the proposed band assignments. The most important metal-oxygen and metal-nitrogen bond vibrations have been attributed to absorptions between 390-350cm-1 and 210-170cm-1, respectively. (Author)

  17. Studies of lanthanide complexes by a combination of spectroscopic methods

    Czech Academy of Sciences Publication Activity Database

    Krupová, Monika; Bouř, Petr; Andrushchenko, Valery

    2015-01-01

    Roč. 22, č. 1 (2015), s. 44. ISSN 1211-5894. [Discussions in Structural Molecular Biology . Annual Meeting of the Czech Society for Structural Biology /13./. 19.03.2015-21.03.2015, Nové Hrady] Institutional support: RVO:61388963 Keywords : lanthanide complexes * chirality sensing * chirality amplification * spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry

  18. Raman investigations of rare earth orthovanadates

    Science.gov (United States)

    Santos, C. C.; Silva, E. N.; Ayala, A. P.; Guedes, I.; Pizani, P. S.; Loong, C.-K.; Boatner, L. A.

    2007-03-01

    Polarized Raman spectroscopy has been used to obtain the room-temperature phonon spectra of the series of rare earth orthovanadate single crystals: SmVO4, HoVO4, YbVO4, and LuVO4. The observed Raman frequencies follow the overall mode distribution expected for REVO4 compounds with the tetragonal zircon structure. The variation of the mode frequency with atomic number across the lanthanide orthovanadate series was investigated, and the trend exhibited by the internal modes was explained by considering the force constants of VO4 tetrahedron.

  19. Raman Investigations of Rare-Earth Orthovanadates

    Energy Technology Data Exchange (ETDEWEB)

    Santos, C. C. [Universidade Federal do Ceara, Ceara, Brazil; Silva, E. N. [Universidade Federal do Ceara, Ceara, Brazil; Ayala, A. P. [Universidade Federal do Ceara, Ceara, Brazil; Guedes, I. [Universidade Federal do Ceara, Ceara, Brazil; Pizani, P. S. [Universidade Federal de Sao Carlos, Caixa Postal, Brazil; Loong, C. K. [Argonne National Laboratory (ANL); Boatner, Lynn A [ORNL

    2007-01-01

    Polarized Raman spectroscopy has been used to obtain the room-temperature phonon spectra of the series of rare earth orthovanadate single crystals: SmVO4, HoVO4, YbVO4 and LuVO4. The observed Raman frequencies follow the overall mode distribution expected for RVO4 compounds with the tetragonal zircon structure. The variation of the mode frequency with atomic number across the lanthanide orthovanadate series was investigated, and the trend exhibited by the internal modes was explained by considering the force constants of VO4 tetrahedron.

  20. Calorimetric approach of lanthanides (3) complexation and extraction by malonamides

    International Nuclear Information System (INIS)

    In the field of long lived radionuclides separation, diamides are interesting extractants because of their ability to co-extract trivalent lanthanides and actinides, which is a preliminary and essential step in high level radioactive waste reprocessing. The research carried out contributes to a better understanding of the mechanisms and the aim is the determination of thermodynamics properties (ΔrG, ΔrH et ΔrS) related to the complexation and the extraction of lanthanides(III) by malonamides. The first part of the document deals with the complexation of lanthanides(III) by an hydrosoluble diamide. The experimental results obtained by UV-visible spectrometry, TRLIF, NMR and microcalorimetric titration proved that lanthanides(III)-TEMA interactions in aqueous medium are very weak and that the complexation reaction is endothermic. The TEMA ligand still stays in the second coordination sphere of coordination of the lanthanide ion. The second part of this study focuses on the extraction of neodymium(III) nitrate by a lipophilic diamide which is an exothermic reaction. The influence of the composition of aqueous and organic phases on the thermodynamics properties ΔrG et ΔrH has been studied by microcalorimetric titration. The most influent parameter is the total concentration in extractant. As a consequence, thermodynamic values are very dependent on the organic phase organisation before and alter extraction. At the same time, this study showed the interest of the calorimetric approach for the analysis of basic reactions like diamide dilution and their organisation as oligomeric aggregates. (author)