Nature of Electronically Excited States of Organic Compounds and Processes of Nonradiative Conversion
- Authors: Mayer G.V.1, Plotnikov V.G.2, Artyukhov V.Y.1
-
Affiliations:
- National Research Tomsk State University
- Photochemistry Center of the Russian Academy of Sciences
- Issue: Vol 59, No 4 (2016)
- Pages: 513-524
- Section: Article
- URL: https://bakhtiniada.ru/1064-8887/article/view/237162
- DOI: https://doi.org/10.1007/s11182-016-0801-0
- ID: 237162
Cite item
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
