Nature of Electronically Excited States of Organic Compounds and Processes of Nonradiative Conversion


Cite item

Full Text

Open Access Open Access
Restricted Access Access granted
Restricted Access Subscription Access

Abstract

Models of quantum-chemical calculation of rate constants for internal processes and intersystem crossing in polyatomic molecules are considered. The influence of the nature of electronically excited states in organic compounds is investigated. It is shown that the explicit allowance for the nature of wave functions of electronic states for estimation of electronic matrix elements of nonadiabaticity operators and spin-orbit interaction allows photophysical processes in organic compounds to be considered in detail.

About the authors

G. V. Mayer

National Research Tomsk State University

Author for correspondence.
Email: president@mail.tsu.ru
Russian Federation, Tomsk

V. G. Plotnikov

Photochemistry Center of the Russian Academy of Sciences

Email: president@mail.tsu.ru
Russian Federation, Moscow

V. Ya. Artyukhov

National Research Tomsk State University

Email: president@mail.tsu.ru
Russian Federation, Tomsk

Supplementary files

Supplementary Files
Action
1. JATS XML

Copyright (c) 2016 Springer Science+Business Media New York