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Journal of Structural Chemistry

2010 year, number 5

crystal structure AND infrared spectroscopY OF MСl2·2CONH3 (M = Cu, Mn)

A. G. Shtukenberg, L. A. P'yankova, Y. O. Punin
Keywords: syntaxy, formamide, single crystal X-ray diffraction analysis, infrared spectroscopy, Cu and Mn complexes
Pages: 945-950

Abstract

Crystals of MСl2·2CONH3 (M = Cu2+, Mn2+) are synthesized from low-temperature water-formamide solutions and studied by crystal optical, single crystal X-ray diffraction, and infrared spectroscopy methods. The crystal structures of CuСl2·2CONH3 and MnСl2·2CONH3 are solved by direct methods and refined in the Ptriclinic space group, R1 = 0.043 and 0.038 for 501 and 686 reflections with F0 > 4σ(F0) respectively. Unit cell parameters for Cu and Mn salts are: a = 3.705(1) Å and 3.685(1) Å, b = 7.049(2) Å and 7.136(2) Å, c = 7.375(2) Å and 7.779(2) Å, α = 113.57(3)° and 117.17(2)°, β = 96.17(3)° and 95.35(2)°, γ = 94.85(3)° and 92.23(2)° respectively, Z = 1. In the studied crystal structures, MCl4O2 octahedra share Cl-Cl edges and form chains along the [100] direction. This direction corresponds to a morphological elongation of the obtained crystals and orientation of the maximum refractive index. The FT infrared spectra obtained in a range from 4000 cm-1 to 300 cm-1 are very close to the spectrum of liquid formamide, but exhibit better resolution of absorption bands.