Topological Effect on MO Energies, II.
Open Access
- 1 February 1983
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 38 (2) , 196-199
- https://doi.org/10.1515/zna-1983-0216
Abstract
The recently introduced approach of S, T isomers [1] has been applied to aza-benzenes and aza-perylenes. Ab initio and HMO calculations as well as experimental results clearly show that the S.T approach is a suitable means to derive definite predictions concerning the MO patterns and HOMO energies of structurally related aza-arenes.Keywords
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