THE ROTATIONAL AND VIBRATIONAL SPECTRA, STRUCTURE AND DIPOLE MOMENT OF 1,3-DIOXOLE-2-THIONE

Article abstract of DOI:10.1016/0022-2860(80)80123-2

Rotational and centrifugal distortion constants are determined for the ground state and several excited states of the lowest vibrational mode of 1,3-dioxole-2-thione, the "envelope" ring-bending mode.The structure of the molecule is planar.The A-constant is 1percent larger than that of 1,3-dioxole-2-one (vinylene carbonate), which indicates small changes in ring-geometry on substituting C=S for C=O.The dipole moment of 1,3-dioxole-2-thione deduced from Stark-effect measurements is (1.60 +/- 0.02)*E-29 Cm (4.81 +/- 0.06 D).IR and Raman spectra lead to a complete analysis of the normal modes of vibration, based partially on a normal coordinate calculation.