A molecular orbital study of the stereochemistry and conformational stability of tetra-coordinate selenium in the selenocyclopropane system

Dennis G. Garratt, George H. Schmid, Imre G. Csizmadia

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Semiempirical molecular orbital calculations were performed on epi-selenurane (1-chloro-1-methyl-selenocyclopropane), the previously proposed reaction intermediate of the addition of selenenyl chloride to olefin: {A figure is presented}. The geometry optimization suggested that the most stable conformation of episelenurane adduct resembles a distorted trigonal bipyramid in which the three membered ring is in an equatorial-apical orientation. The study has also been extended to substituted ethylenes.

Original languageEnglish
Pages (from-to)117-123
Number of pages7
JournalJournal of Molecular Structure
Volume22
Issue number1
DOIs
Publication statusPublished - Jul 1974

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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