Short communication, Note

A CDNO/S3 Study of the p-Quinonemethide-Phenol Interaction

Sergey G. Semenov ; Department of Quantum Chemistry, Leningrad University, 198904 Leningrad, USSR
Sergey M. Shevchenko ; »Ruđer Bošković" Institute, 41000 Zagreb, Croatia, Yugoslavia

Abstract

The dependence of the electronic structure of p-quinonemethide
- phenol and p-quinonemethide - phenolate anion systems
on interplane distance and mutual orientation of the reactants was analyzed on the basis of CNDO/S3calculations. The approach of two reactants results in aminor change in the charge transfer electron transition, Its high energy indicates a low probability of electron transfer to be the first stage of the chemical reaction.

Keywords

Hrčak ID:

175880

URI

https://hrcak.srce.hr/175880

Publication date:

28.4.1988.

Visits: 725 *