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MO Study of the photochemical behavior of the imine bond

✍ Scribed by Yoshihiro Osamura; Shinichi Yamabe; Kichisuke Nishimoto

Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
250 KB
Volume
18
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The photoisomerization of imine compounds is studied in terms of an ab initio MO CI calculation. The potential curves of the syn‐anti isomerization via the rotation and the inversion are examined for benzaldimine. It is suggested that the photoisomerization is initiated through the rotation around the CN bond in both singlet and triplet states. The ease of the photoisomerization is found to be determined by both the conformation of phenyl ring in the ground state and the energy difference of vertically excited states between two isomers.

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