Microwave spectrum of three isotopic species of carbonyl chloride
- 1 January 1978
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 74, 466-479
- https://doi.org/10.1039/f29787400466
Abstract
Microwave transitions between 24 and 154 GHz in the ground vibrational state of three isotopic species of COCl2 have been analysed. Rotational constants and quartic and sextic centrifugal distortion constants were obtained for transitions with J values between 1 and 41. From transitions with suitably large quadrupole splittings, the diagonal elements of the quadrupole coupling tensors were determined. The rotational data were analysed to give both r0 and rz structures, the r0-structure [r(C—Cl)= 174.01 (8) pm, r(C—O)= 117.94 (17) pm and ClCCl = 111.93 (8)°] being rather different from an earlier reported microwave structure. The quartic centrifugal distortion constants were shown to be consistent with a recently determined force field. The force fields of carbonyl and thiocarbonyl halides were compared.Keywords
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