Author:
Rusakov Yury Yu.,Krivdin Leonid B.,Istomina Natalia V.,Levanova Ekaterina P.,Levkovskaya Galina G.
Abstract
Theoretical energy-based conformational analysis of 2-formylselenophene performed at the MP2/6–311G** level together with experimental measurements and SOPPA/aug-cc-pVTZ-J calculations of its 13C–1H, 13C–13C, and 77Se–1H spin–spin coupling constants showed that this compound predominantly adopts the s-cis conformation. Most of the spin–spin coupling constants under study, especially vicinal 77Se–1H couplings, demonstrate remarkable stereochemical behaviour with respect to the internal rotation of the formyl group, which is of major importance in stereochemical studies of the related selenium-containing compounds.
Cited by
22 articles.
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