Abstract
Abstract He(I) photoelectron spectra of 1,3-dithiane, 5-hydroxy-1,3-dithiane, 1,3-dithiane-5-one, 1,3-dithiane-1,3-dioxide, 1,3-dithiane-1,3-dioxide-5-one, and 1,4-dithiane are reported. Photoelectron spectra reveal a strong interaction between sulfur non-bonding orbitals and orbitals of the carbonyl group. MNDO calculations show a considerable mixing between the antisymmetric combination of sulphur non-bonding orbitals and the carbonyl non-bonding orbital. The photoelectron spectrum indicates that two conformations of 1,3-dithiane-1,3-dioxide are in equilibrium in the gas phase.
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