Some molecular properties of thiocarbonyl chloride determined by microwave spectroscopy

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Abstract

A thorough investigation has been made of the microwave spectrum of thiocarbonyl chloride and lines were assigned for 32S12C35Cl2, 32S12C35Cl37Cl, 32S12C37Cl2 and 34S12C35Cl2. The r0 structure gives the CS distance as 160.0 pm, C—Cl distance as 172.7 pm and the CCl2 angle as 111.2°. Centrifugal distortion constants, quadrupole coupling information and a harmonic force field consistent with the centrifugal distortion and the known vibrational frequencies have been obtained. Because of a major shift of principal intertial axes between SC35Cl2 and SC35Cl37Cl, the orientation of the principal axes of the electric field gradient tensor can be determined precisely; there is a small but significant difference between the z-axis and the C—Cl bond direction.

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