Molecular structure of thiocarbonyl chloride as studied by gas electron diffraction

Abstract

The average molecular structure of thiocarbonyl chloride, CSCl 2, has been determined from a combination of electron diffraction data and published microwave data. The following values were obtained: r z (CS) = 1.602 ± 0.005 Å, r z (C-Cl) = 1.728 ± 0.003 Å, and ∠ zCl-C-Cl = 111.2 ± 0.3°, where the uncertainties represent estimated limits of experimental error. The effective constants, a 3, representing the cubic anharmonicity of bond-stretching vibrations are estimated to be a 3 (CS) = 2.6 ± 1.8 Å −1 and a 3 (C-Cl) = 2.1 ± 0.5 Å −1.