Covalency Effects in U4+ Halide Complexes

Johnston, David R.; Satten, R. A.; Wong, Eugene Y.

doi:10.1063/1.1727202

Cited by 52 publications

(30 citation statements)

References 4 publications

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“…For the calculations all 91 possible L, S, J, M J -states for the f 2 -configuration of U 4+ were considered. The electronelectron interaction parameters (F 2 , F 4 , F 6 ) and the spin orbit coupling constant (ζ) were taken from the literature, [78] and are given in Table S12.…”

Section: U(p 2 S 6 )mentioning

confidence: 99%

Comprehensive Uranium Thiophosphate Chemistry: Framework Compounds Based on Pseudotetrahedrally Coordinated Central Metal Atoms

Neuhausen

Hatscher

Panthöfer

et al. 2013

Zeitschrift anorg allge chemie

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Abstract. The new ternary compounds UP 2 S 6 , UP 2 S 7 , U(P 2 S 6 ) 2 , and U 3 (PS 4 ) 4 were prepared from uranium metal, phosphorus pentasulfide, and sulfur at 700°C. The crystal structures were determined by singlecrystal X-ray diffraction methods. UP 2 S 6 (I) crystallizes in the ZrP 2 S 6 structure type [tetragonal, P4 2 /m, a = 6.8058(7) Å, c = 9.7597(14) Å, Z = 2], which consists of central uranium(IV) atoms coordinated by P 2 S 6 4-anions (staggered conformation). The anions are two-dimensional connectors for four uranium cations arranged in one plane. The structure of UP 2 S 7 (II) [orthorhombic, Fddd, a = 8.9966 (15) ligands, the resulting 3D network contains large pores (diameter approx. 3.5 ϫ 16.7 Å). In the previously reported compound U(P 2 S 6 ) 2 (III) [I4 1 /a, a = 12.8776(9) Å, c = 9.8367(10) Å, Z = 2], the

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Section: U(p 2 S 6 )mentioning

confidence: 99%

Comprehensive Uranium Thiophosphate Chemistry: Framework Compounds Based on Pseudotetrahedrally Coordinated Central Metal Atoms

Neuhausen

Hatscher

Panthöfer

et al. 2013

Zeitschrift anorg allge chemie

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“…The energy level analysis of Cs 2 UCl 6 has been described by Satten et al (1965) and Johnston et al (1966a).…”

Section: C3hsmentioning

confidence: 99%

Optical Spectra and Electronic Structure of Actinide Ions in Compounds and in Solution

Carnall¹,

Crosswhite²

1986

The Chemistry of the Actinide Elements

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DISCLAIMER (1959)......t................................ Free-ion Energy Levels and Parameters for Pr AbstractThis report provides a summary of theoretical and experimental studies of actinide spectra in condensed phases. Much of the work was accomplished at Argonne National Laboratory, but references to related investigations by others are included.Spectroscopic studies of the trivlent actinides are emphasized, as is the use of energy level parameters, evaluated from experimental data, to investigate systematic trends in electronic structure and other properties.Some reference is made to correlations with atomic spectra, as well as with spectra of the (II), (IV), and higher valence states.

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“…Optical f-f spectra of the UClg-complex in different compounds were studied earlier [14,151. For the calculations we used the free-ion set [ = 1792cm-', F2 = 41175, F4 = 40838, F6 = 28858 cm-' [15], and the U-C1 distance was assumed to be equal to 0.275 nm.…”

Section: Calculations Of Cf Energies Of the 5fz-configuration For Thementioning

confidence: 99%

Semiempirical Crystal Field Calculations for f^N‐Systems. II. Crystal Field Effects in Hexahalogenide PaX, UX, and UCl Complexes and in UCl₄ Crystal

Mironov

Rosov

1992

Physica Status Solidi (b)

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On the basis of a many-electron semiempirical method developed in the previous paper a program for practical crystal field energy calculations for fN-systems is written and applied to octahedral Paxi -, UX;, and UCli-complexes, and the UCI, crystal. The results obtained are in very good agreement with the experimental data on crystal field levels in these compounds. The vibronic coupling constants are also calculated for the series of Paxi-and UX; complexes in the frame of this method.Ha OCHOBe MHOT03JIeKTpOHHOTO IIOJIy3MIIMpMYeCKOrO MeTOAa, pa3pa60TaHHOrO B HaIIIe6 IIpeflblfly We6 pa6o~e, HaIIHCaHa IIpOrpaMMa AJIR npaKTHLleCKHX pdCYeTOB YpOBHefi 3HeprHH KpHCTanJIHqeCKOTO IIOJIR AJIX fN-KOH@HrypaUMfi M EICIIOJIb30BaHa AJIR paCWTOB AnR OKTa3APAYeCKHX reKCaraJIOreHHAHbIX KOMIIJICKCOB Pax;-M ux; 5f' -KOMnJIeKCOB, uC12-KOMIIJIeKCd €3 Ann KpHCTaJIna uc14. nOJIyWHHbIe pe3yJIbTaTbI BeCbMa XOpOUIO COrJIaCyIoTCR C 3KCIIePMMeHTaJIbHbIMH AaHHblM. npOBeneHb1 TaKXe paCYeTb1 KOHCTaHT BH6POHHOTO B3aUMOAefiCTBHR AJIX OKTa3APMYeCKMX 5f' -KOMIIneKCOB.

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Covalency Effects in U4+ Halide Complexes

Cited by 52 publications

References 4 publications

Comprehensive Uranium Thiophosphate Chemistry: Framework Compounds Based on Pseudotetrahedrally Coordinated Central Metal Atoms

Comprehensive Uranium Thiophosphate Chemistry: Framework Compounds Based on Pseudotetrahedrally Coordinated Central Metal Atoms

Optical Spectra and Electronic Structure of Actinide Ions in Compounds and in Solution

Semiempirical Crystal Field Calculations for f^N‐Systems. II. Crystal Field Effects in Hexahalogenide PaX, UX, and UCl Complexes and in UCl₄ Crystal

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Covalency Effects in U4+ Halide Complexes

Cited by 52 publications

References 4 publications

Comprehensive Uranium Thiophosphate Chemistry: Framework Compounds Based on Pseudotetrahedrally Coordinated Central Metal Atoms

Comprehensive Uranium Thiophosphate Chemistry: Framework Compounds Based on Pseudotetrahedrally Coordinated Central Metal Atoms

Optical Spectra and Electronic Structure of Actinide Ions in Compounds and in Solution

Semiempirical Crystal Field Calculations for fN‐Systems. II. Crystal Field Effects in Hexahalogenide PaX, UX, and UCl Complexes and in UCl4 Crystal

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Semiempirical Crystal Field Calculations for f^N‐Systems. II. Crystal Field Effects in Hexahalogenide PaX, UX, and UCl Complexes and in UCl₄ Crystal