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Journal ArticleDOI

SYNTHESIS AND STRUCTURE OF THE FIRST MIXED HALIDE-DITHIOCARBAMATE COMPLEX OF SE(II), BROMODIETHYLDITHIO-CARBAMATOSELENIUM(II), [Se{(C2H5)2NCS2}Br]

01 Jan 1996-Phosphorus Sulfur and Silicon and The Related Elements (Taylor & Francis Group)-Vol. 108, pp 85-92
TL;DR: SeLBr [L− = diethyldithiocarbamate, (C2H5)2NCS2 −] was obtained by the reaction of Se(IV)bromide with tetraethylthiuram disulfide in a methanol solution containing hydrobromic acid as discussed by the authors.
Abstract: The title compound, SeLBr [L− = diethyldithiocarbamate, (C2H5)2NCS2 −] is the first example of Se(II) complex featuring a dithiocarbamate and a halide. It was obtained by the reaction of Se(IV)bromide with tetraethylthiuram disulfide in a methanol solution containing hydrobromic acid. The structure determination of the compound shows it to be polymeric with bromine being the bridging ligand. The crystals of SeLBr are monoclinic with a = 10.391(3), b = 8.434(4), c = 12.030(2) A, β = 108.10(2)°, V = 1002.15 A3, Z = 4 and space group, P21/n; R = 0.073, Rw = 0.074.
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TL;DR: In this paper, the Hartree-Fock wave function was used to compute X-ray scattering factors for neutral atoms from He to Lw and for most of the chemically significant ions through Lu3+ through Lu 3+.
Abstract: X-ray scattering factors for neutral atoms from He to Lw and for most of the chemically significant ions through Lu3+ have been computed from numerical Hartree–Fock wave functions. The results are given in the form of coefficients for an analytic function.

2,795 citations

Journal ArticleDOI
TL;DR: In this paper, relativistic calculations of the photoelectric cross section have been made and the integral for the principal contribution to Δf′ has been evaluated numerically without approximation to the form of the cross section-vs-energy curve, as has been done in previous calculations.
Abstract: Anomalous scattering factors Δf′ and Δf″ have been calculated relativistically for Cr, Fe, Cu, Mo, and Ag Kα radiations for the atoms Li through Cf. An interpolation scheme for other wavelengths is included in a separate report. Relativistic calculations of the photoelectric cross section have been made and the integral for the principal contribution to Δf′ has been evaluated numerically without approximation to the form of the cross section‐vs‐energy curve, as has been done in previous calculations. Many of the results are significantly different from previous calculations. Where experimental values exist, agreement for Δf″ is improved. For the rare gases, except for xenon, agreement between Δf′ and experiment is improved. Because of the more rigorous evaluation of Δf′ from cross‐section information, it is presumed that the present Δf′ values are more accurate than previous calculated values. Calculated mass absorption coefficients for the elements are included as incidental information.

2,698 citations

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