An investigation of structure and conformation of thiophene-2-sulphonyl radicals
- 1 January 1986
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 8,p. 1179-1182
- https://doi.org/10.1039/p29860001179
Abstract
The e.s.r. spectra of a variety of photochemically generated thiophene-2-sulphonyl radicals are described. Their spin distribution is typical of σ-radicals; radicals without substituents at position 3 exhibit relatively rapid rotation about the C–S bond at all accessible temperatures while the 3-bromo-substituted ones demonstrate a marked conformational preference which has been interpreted in terms of a π-type conjugated structure. These findings are substantiated also by the results of INDO calculations carried out for the unsubstituted thiophene-2-sulphonyl radical with different relative arrangements of the SO2 and heteroaromatic moieties.Keywords
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