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Report | Regular issue | Vol 22, No. 9, 1984, pp.2059-2064
Published online, 1st January, 1970
DOI: 10.3987/R-1984-09-2059
A CNDO Study on the n → π* Contribution to MCD in Aza Analogues of Anthracene

Akio Tajiri* and Johannes Winkler

*Chemical Research Institute of Non-Aqueous Solutions, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577, Japan

Abstract

Magnetic circular dichroism of aza analogues of anthracene was interpreted on the basis of the CNDO/S method. Magnetic coupling of the lowest n → π* state with the lowest π → π* state was suggested to be of appreciable importance in acridine, phenazine and benz[a]acridine.