The Microwave Spectrum of Thiirane in Excited Vibrational States

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Abstract
The microwave spectra in the ground and five low-lying vibrational states of 12C2H432S and in the ground state of 12C13CH432S and 12C2H434S have been assigned to high-J transitions. The rotational and centrifugal distortion constants were derived. Four of the five vibrational states were found to be in Coriolis interaction in pairs; one of the pairs was identified as the symmetric and antisymmetric ring deformation modes, ν5(A1) and ν12(B1), but another pair was unexplicable from any of the previously reported vibrational assignments. The infrared and Raman spectra in the liquid and gas phases were examined, and the latter pair of vibrations was interpreted as ν14(B2) at 945 cm−1 and ν8(A2) at about 970 cm−1. This novel assignment of ν8 around 970 cm−1 was based on not only the results of microwave spectroscopy, but also on the observation of an unsymmetric band contour in the infrared spectrum of the gaseous sample.