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1.
Satya Prakash 《Pramana》1989,33(1):109-131
This article summarizes the recent radiochemical investigations on mass, charge kinetic energy and fragment angular distributions
in low energy fission of actinides. 相似文献
2.
Zhong-Le Huang Wolfgang Bensch Hubert Ebert 《Journal of solid state chemistry》2004,177(10):3245-3253
The effect of substitution of the anion Te by Se in non-stoichiometric Cr5Te8 has been investigated with respect to its crystal structure, magnetic properties, and electronic structure. The compounds Cr(1+x)Q2 (Q=Te, Se; Te:Se=7:1; (1+x)=1.234(6), 1.264(6), 1.300(7)) were synthesized at elevated temperatures followed by quenching the samples to room temperature. The crystal structures have been refined with X-ray powder diffraction data with the Rietveld method in the trigonal space group with lattice parameters a=3.8651(1)-3.8831(1) Å and c=5.9917(2)-6.0528(2) Å. The structure is related to the NiAs structure with full and deficient metal layers stacking alternatively along the c-axis. The irreversibility in the field-cooled/zero-field-cooled magnetization suggests that the substitution effects of one Te by one Se is strong enough to cause cluster-glass behavior, from ferromagnetic Cr5Te8 to cluster-glass Cr(1+x)Q2. Non-saturation magnetizations at 5.5 T and the magnetic relaxation results further support the existence of cluster-glass behavior. Accompanying SPR-KKR (spin-polarized relativistic Korringa-Kohn-Rostoker) band structure calculations strongly support the observation that the Cr(1) sites are preferentially occupied by Cr atoms and predict that these compounds are metallic. Results for the spin-resolved DOS and magnetic moments on each crystallographic sites are presented. 相似文献
3.
1 INTRODUCTION Halide fluxes are excellent media for growing single crystals of chalcogenides[1~5]. On our research in the Ln-Cu-Zn-Se system to find new phases and to search for potential infrared ceramic materials, two new compounds, KHo2CuSe4 and KEr2CuSe4, were synthesized from the reaction of the precursor with KCl flux[6]. In an attempt to synthesize the homologous sulfide by the same method using KBr as flux in a sealed evacuated quartz tube, single crystals of Ho4S3Si2O7 w… 相似文献
4.
The polyoxo rare-earth core
(Ln = Y, Gd, and Yb) has been synthesized from the appropriate rare-earth chloride hydrate and K2Se and Se in dmf (dimethylformamide). The cluster core is ligated with a variety of polyselenido chains in addition to a number of dmf molecules. The structure of the Gd8(dmf)13(4-O)(3-OH)12(Se3)(Se4)2(Se5)2 cluster, 1, was determined by X-ray diffraction methods. It is similar to an Eu cluster previously characterized. Two new clusters, Yb8(dmf)11(4-O)(3-OH)12(Se4)2(Se5)2Cl2·dmf, 2, and Y8(dmf)12(4-O)(3-OH)12(Se4)4Cl2·6 dmf, 3, have also been synthesized and characterized. Clusters 2 and 3 have the same octanuclear core of rare-earth atoms as the Gd cluster but contain two chloro ligands in two isomeric conformations in place of the Se
3
2-
ring in the Gd cluster. The geometry of the Ln
8 core is described as a triangulated dodecahedron with 3-OH groups capping the 12 faces. A 4-O atom centers the cluster with close contacts to four Ln atoms in an approximate tetrahedral arrangement. Pertinent crystallographic data are: Compound 1, monoclinic,
, a= 14.410(3) Å, b = 24.439(5) Å, c = 28.927(6) Å, = 101.05(3)°, V = 9998(3) Å3, T = 106(2) K, Z = 4; Compound 2, orthorhombic,
, a = 17.049(9) Å, b = 24.68(1) Å, c = 45.03(2)Å, V = 18,945(16) Å3, T = 153(2) K, Z = 8; Compound 3, monoclinic, C
2h
5
-P21/c, a =18.728(l) Å, b = 29.263( 1) Å, c = 20.548(1) Å, = 90.144(1)°, V = 11,261(1) Å3, T = 153(2) K, Z = 4. 相似文献
5.
Bradley D. Fahlman Andrew D. Daniels Gustavo E. Scuseria Andrew R. Barron 《Journal of Cluster Science》2002,13(4):587-599
Thermodynamic and mechanistic features of the chalcogen exchange reaction between [RGa(
3-Te)]4 and elemental sulfur or selenium have been studied employing density functional theory (DFT) calculations using the BL3YP basis set and Stuttgart pseudopotentials. For [MeGa(
3-E)]4 (E=S, Se, Te) the correlation between the calculated parameters and diffraction data for their isolable analogs is greater than 98%. Each step of the conversion of [MeGa(
3-Te)]4 to [MeGa(
3-E)]4 via [Me4Ga4(
3-Te)4–x
(
3-E)
x
] (E=S, Se) is predicted to occur as a series of isolated reactions. The entropy change for each chalcogen exchange is small in magnitude and corresponds to the degree of cage distortion within the cubane molecules. Calculations performed on [MeGa(
3-Te)]4...S8 and [MeGa(
3-Te)]4-S suggest that an increase in electrophilicity of the gallium next to a surface bound tellurium may result in nucleophilic cage opening for which intermediate structures are calculated. 相似文献
6.
Shariff?E.?KabirEmail author M.?Arzu?Miah M.?Abdur?Rahim Sonia?Sultana G.?M.?Golzar?Hossain Ebbe?Nordlander Edward?Rosenberg 《Journal of Cluster Science》2005,16(1):93-110
Treatment of Ru3(CO)12 with dpphSe2 (dpph = 1,6-bis(diphenylphosphino)hexane) in refluxing toluene in the presence of Me3NO afforded two new compounds, Ru3(CO)7(-CO)(3-Se)(-dpph) (1) and Ru3(CO)7(3-Se)2(-dpph) (2). A similar reaction of Ru3(CO)12 with dpppeSe2 (dpppe = 1,5-bis(diphenylphosphino)pentane) gave exclusively Ru3(CO)7(3-Se)2(-dpppe) (3). Treatment of Ru3(CO)12 with dpphS2 and dpppeS2 at 110°C in the presence of Me3NO afforded Ru3(CO)7(3-S)2(-dpph) (4) and Ru3(CO)7(3-S)2(-dpppe) (5), respectively. Reactions of Fe3(CO)12 with dpphSe2 and dpppeSe2, under identical conditions, afforded Fe3(CO)7(3-Se)2(-dpph) (6) and Fe3(CO)7(3-Se)2(-dpppe) (7), respectively. Compounds 1–7 were characterized spectroscopically and the molecular structures of compounds 1–4 were determined by single crystal X-ray crystallography. The core of 1 contains an equilateral triangle of ruthenium atoms with one capping selenium, one bridging dpph, one doubly bridging carbonyl and seven terminal carbonyl ligands. Complexes 2–4 have a square-pyramidal structure with two metal and two chalcogenide atoms alternating in the basal plane and the third metal atom at the apex of the pyramid, and belong to the family of well-known nido clusters with seven skeletal electron pairs. 相似文献
7.
Dr. Matthieu Autillo Md. Ashraful Islam Julie Héron Laetitia Guérin Dr. Eleonor Acher Dr. Christelle Tamain Dr. Marie-Claire Illy Dr. Philippe Moisy Dr. Eric Colineau Dr. Jean-Christophe Griveau Dr. Claude Berthon Dr. Hélène Bolvin 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(24):7138-7153
Actinide +VI complexes ( = , and ) with dipicolinic acid derivatives were synthesized and characterized by powder XRD, SQUID magnetometry and NMR spectroscopy. In addition, and complexes were described by first principles CAS based and two-component spin-restricted DFT methods. The analysis of the 1H paramagnetic NMR chemical shifts for all protons of the ligands according to the X-rays structures shows that the Fermi contact contribution is negligible in agreement with spin density determined by unrestricted DFT. The magnetic susceptibility tensor is determined by combining SQUID, pNMR shifts and Evans’ method. The SO-RASPT2 results fit well the experimental magnetic susceptibility and pNMR chemical shifts. The role of the counterions in the solid phase is pointed out; their presence impacts the magnetic properties of the complex. The temperature dependence of the pNMR chemical shifts has a strong contribution, contrarily to Bleaney's theory for lanthanide complexes. The fitting of the temperature dependence of the pNMR chemical shifts and SQUID magnetic susceptibility by a two-Kramers-doublet model for the complex and a non-Kramers-doublet model for the complex allows for the experimental evaluation of energy gaps and magnetic moments of the paramagnetic center. 相似文献
8.
Robert G. Surbella III Korey P. Carter Trevor D. Lohrey Dallas Reilly Mark Kalaj Bruce K. McNamara Jon Schwantes Rebecca J. Abergel 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(61):13819-13825
A new uranyl containing metal–organic framework, RPL-1 : [(UO2)2(C28H18O8)] . H2O (RPL for Radiochemical Processing Laboratory), was prepared, structurally characterized, and the solid-state photoluminescence properties explored. Single crystal X-ray diffraction data reveals the structure of RPL - 1 consists of two crystallographically unique three dimensional, interpenetrating nets with a 4,3-connected tbo topology. Each net contains large pores with an average width of 22.8 Å and is formed from monomeric, hexagonal bipyramidal uranyl nodes that are linked via 1,2,4,5-tetrakis(4-carboxyphenyl)benzene (TCPB) ligands. The thermal and photophysical properties of RPL-1 were investigated using thermogravimetric analysis and absorbance, fluorescence, and lifetime spectroscopies. The material displays excellent thermal stability and temperature dependent uranyl and TCPB luminescence. The framework is stable in aqueous media and due to the large void space (constituting 76 % of the unit cell by volume) can sequester organic dyes, the uptake of which induces a visible change to the color of the material. 相似文献
9.
Reaction of Ni2+ and SnS as a Way to Form Ni@SnS and Sn2Ni3S2 Nanocrystals: Control of Product Formation and Shape
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Stefan Michael Rommel Dr. Richard Weihrich 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(27):9863-9867
Reductive diffusion of Ni2+ into SnS particles was shown to selectively form Sn2Ni3S2, hybrid, or even core‐shell Ni@SnS, Ni1.523Sn, and Ni3S2, by tuning the reaction conditions at low temperatures. The mechanism of Ni2+ reduction and diffusion into SnS was observed in ethylene glycol, which served both as solvent and reducing agent. Tuning of reaction temperature and duration, morphology of the template SnS, and the application of ethylenediamine as supporting chelating agent, influence the formation of the final products. Their formation was controlled by carefully adjusting redox and equilibrium reactions. The products were characterized by X‐ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X‐ray spectroscopy analysis (EDX). 相似文献
10.
Ayumi Suzuki Dr. Yuichiro Mutoh Dr. Noriko Tsuchida Chi-Wai Fung Dr. Shoko Kikkawa Prof. Isao Azumaya Prof. Shinichi Saito 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(17):3795-3802
Although the chemistry of transition-metal complexes with carbonyl (CO) and thiocarbonyl (CS) ligands has been well developed, their heavier analogues, namely selenocarbonyl (CSe) and tellurocarbonyl (CTe) complexes remain scarce. The limited availability of such CSe and CTe complexes has so far hampered our understanding of the differences between such chalcogenocarbonyl (CE: E=O, S, Se, Te) ligands. Herein, we report the synthesis and properties of a series of cationic half-sandwich ruthenium CE complexes of the type [CpRu(CE)(H2IMes)(CNCH2Ts)][BArF4] (Cp=η5-C5H5−; H2IMes=1,3-dimesitylimidazolin-2-ylidene; ArF=3,5-(CF3)2C6H3). A combination of X-ray diffraction analyses, NMR spectroscopic analyses, and DFT calculations revealed an increasing π-accepting ability of the CE ligands in the order O<S<Se<Te. A variable-temperature NMR analysis of the thus obtained chiral-at-metal CE complexes indicated high stereochemical stability. 相似文献