Microwave spectrum, barrier to internal rotation of the methyl group, chlorine-35 nuclear quadrupole coupling constants, and molecular conformation of methyl chloroformate
- 1 January 1973
- 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. 69, 1036-1042
- https://doi.org/10.1039/f29736901036
Abstract
The microwave spectrum of methyl chloroformate vapour has been analysed and found to be consistent only with a planar heavy atom skeleton with the methyl group cis to the carbonyl group. Both µa and µb lines were observed. The three-fold barrier to internal rotation of the methyl group was calculated from splittings in µb Q branch lines to be 1250 ± 30 cal mol–1(5230 ± 126 J mol–1). The 35Cl nuclear quadrupole constants were measured from the µa 2â†�1 transitions to be Xaa=–58.8 ± 0.2 MHz and Xbb= 31.1 ± 0.5 MHz.Keywords
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