New approach to stereochemical structure determination of bis-selenium-subsituted alkenes |
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| Authors: | Ananikov V. P. Beletskaya I. P. |
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| Affiliation: | (1) N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., 119991 Moscow, Russian Federation;(2) Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119992 Moscow, Russian Federation |
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| Abstract: | A new approach to determination of the stereochemical structure of bis-selenium-substituted alkenes using experimental 77Se NMR studies and B3LYP/6-311G(d) quantum-chemical calculations is developed. Joint analysis of experimental and calculated data allows assignment of signals in the 77Se NMR spectrum. The method was evaluated taking the model compounds (PhSe)HC=C(SePh)R (R = COOMe, CH2NMe2, CH2OH, Ph) as examples. |
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| Keywords: | stereochemistry selenium compounds 77Se NMR spectroscopy quantum-chemical calculations |
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