Dicesium trans-Tetraaquadichlorochromium(III) Chloride: Redetermination of the Crystal Structure and Infrared Study of the Water Spectrum

Stanley C. Nyburg; Bojan Soptrajanov; Viktor Stefov; Vladimir M. Petrusevski

doi:10.1021/ic9607907

Dicesium trans-Tetraaquadichlorochromium(III) Chloride: Redetermination of the Crystal Structure and Infrared Study of the Water Spectrum

Inorg Chem. 1997 May 21;36(11):2248-2251. doi: 10.1021/ic9607907.

Authors

Stanley C. Nyburg¹, Bojan Soptrajanov, Viktor Stefov, Vladimir M. Petrusevski

Affiliation

¹ Department of Chemistry, King's College, University of London, Strand, London WC2R 2LS, England, and Institut za hemija, PMF, Univerzitet "Sv. Kiril i Metodij", PO Box 162, 91001 Skopje, Macedonia.

PMID: 11669857
DOI: 10.1021/ic9607907

Abstract

Infrared spectral studies of the solid led us to believe that the published crystal structure of dicesium trans-tetraaquadichlorochromium(III) chloride,trans-Cs(2)[CrCl(2)(H(2)O)(4)]Cl(3) might be incorrect. Crystal data: Cs(2)CrCl(5). 4H(2)O, a = 17.484(9) Å, b = 6.099(3) Å, c = 6.928(3) Å, beta = 106.06(5) degrees, monoclinic, C2/m, Z = 2 molecules per cell. The redetermination has revealed disorder in the positions of the water molecules. Instead of one type of H(2)O molecule being present as found in the original study, two sets of such molecules with four nonequivalent O.Cl contacts were found. The presence, in the O-D stretching region of the spectra of samples with low deuterium content, of three bands with intensities close to 2:1:1 (rather than the expected four) is believed to be a consequence of different degrees of nonlinearity of the two hydrogen bonds formed by the water molecules of one of the two existing types.