Abstract
The MINDO/3, MNDO, CNDO/2, CNDO/S, INDO methods and X-ray fluorescence Kβ spectroscopy of sulphur atom rotational isomerism were used to investigate the compounds C 6H 5SAlk, where Alk=CH 3 1, C 2H 5( 2), CH(CH 3) 2 ( 3) or C(CH 3) 3 ( 4). It has been stated that molecules 1–3 exist in two conformations; conjugated (the coplanarity decreasing with increasing size of the alkyl substituent), and orthogonal. In sulphide 4, only the orthogonal conformation was observed.
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