Based on ab initio STO-3G calculations with geometry optimization, a general conformational basis for the inversion mechanism of thermal E/Z isomerization of aromatic azo and azomethine compounds is provided. The structure of the E,Z isomers and the inversion transition states is determined. The influence of substituents on conformation and inversion is discussed.
A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds
CIMIRAGLIA, Renzo;
1987
Abstract
Based on ab initio STO-3G calculations with geometry optimization, a general conformational basis for the inversion mechanism of thermal E/Z isomerization of aromatic azo and azomethine compounds is provided. The structure of the E,Z isomers and the inversion transition states is determined. The influence of substituents on conformation and inversion is discussed.File in questo prodotto:
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