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Conformational analysis of saturated heterocycles substituted final ozonides
Author(s) -
Rouse Robert A.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560070735
Subject(s) - cndo/2 , ozonide , chemistry , computational chemistry , molecular orbital , molecule , ozonolysis , organic chemistry
Abstract Conformational analyses of cis ‐ and trans ‐2‐butene final ozonide (a 1,2,4‐trioxolane) and a series of singly substituted final ozonides have been performed. The calculations are in agreement with experimentally determined structures and indicate the applicability of the approximate molecular orbital method CNDO/2 to conformational analyses of other oxygen containing heterocyclic compounds.