CONFORMATIONAL ANALYSIS OF N-VINYL-2-PHENYLPYRROLE

Authors

  • Ю. Ю. Русаков A. E. Favorsky Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk 665033
  • Л. Б. Кривдин A. E. Favorsky Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk 665033
  • Н. В. Истомина A. E. Favorsky Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk 665033
  • Е. Ю. Шмидт A. E. Favorsky Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk 665033
  • А. И. Михалева A. E. Favorsky Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk 665033

DOI:

https://doi.org/10.1007/6875

Keywords:

N-vinyl-2-phenylpyrrole, conformational analysis, spin-spin coupling constants, second-order polarization propagator approximation (SOPPA)

Abstract

A conformational analysis of N-vinyl-2-phenylpyrrole was undertaken according to the results from experimental measurements and nonempirical quantum-chemical calculation of the high-level  13C–1H and  13C–13C spin-spin coupling constants. Angular relationships were established in the direct and vicinal JC,C and JC,H  constants in the N-vinylpyrrole fragment, making it possible to use them in stereochemical investigations of the vinyl derivatives of pyrrole.

How to Cite
Rusakov, Yu. Yu.; Krivdin, L. B.; Istomina, N. V.; Schmidt, E. Yu.; Mikhaleva, A. I.  Chem. Heterocycl. Compd. 2009, 45, 28. [Khim. Geterotsikl. Soedin. 2009, 35.]

For this article in the English edition see DOI 10.1007/s10593-009-0221-y


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Published

2022-07-06

Issue

No. 1 (2009)

Section

Original Papers