SPECIAL FEATURES OF THE STERIC AND ELECTRONIC STRUCTURE OF BIS(3-IMINO-1-ISOINDOLINYLIDENEAMINO)ARYLENES ACCORDING TO DATA OF THE AM1 METHOD

Abstract

Using the semiempirical AM1 method stationary points have been found on the potential energy surfaces for the internal rotation of 1,3-bis(3-imino-1-isoindolinylideneamino)benzene and 2,6-bis(3-imino-1-isoindolinylideneamino)pyridine, and also for their tautomeric forms. Energy barriers for the in-plane inversion of the terminal imino groups and for the tautomeric conversions involving them have been determined. It was shown that the molecules of these compounds are structurally flexible.

How to Cite
Islyaikin, M. K.; Baranski, A. Chem. Heterocycl. Compd. 2001, 37, 960. [Khim. Geterotsikl. Soedin. 2001, 1047.]

For this article in the English edition, see DOI https://doi.org/10.1023/A:1012731432731