Welcome to the InfoSci Platform
Reference Hub1
Pseudo Jahn-Teller Effect in Transition States of Redox Processes

Pseudo Jahn-Teller Effect in Transition States of Redox Processes

Natalia Gorinchoy, Iolanta Balan, Mikhail Gorbachev, Ion Arsene, Victor Polinger, Gheorghe Duca, Isaac Bersuker
Copyright: © 2023 |Pages: 40
ISBN13: 9781668471982|ISBN10: 1668471981|ISBN13 Softcover: 9781668471999|EISBN13: 9781668472002
DOI: 10.4018/978-1-6684-7198-2.ch004
Cite Chapter Cite Chapter

MLA

Gorinchoy, Natalia, et al. "Pseudo Jahn-Teller Effect in Transition States of Redox Processes." Fundamental and Biomedical Aspects of Redox Processes, edited by Gheorghe Duca and Ashok Vaseashta, IGI Global, 2023, pp. 71-110. https://doi.org/10.4018/978-1-6684-7198-2.ch004

APA

Gorinchoy, N., Balan, I., Gorbachev, M., Arsene, I., Polinger, V., Duca, G., & Bersuker, I. (2023). Pseudo Jahn-Teller Effect in Transition States of Redox Processes. In G. Duca & A. Vaseashta (Eds.), Fundamental and Biomedical Aspects of Redox Processes (pp. 71-110). IGI Global. https://doi.org/10.4018/978-1-6684-7198-2.ch004

Chicago

Gorinchoy, Natalia, et al. "Pseudo Jahn-Teller Effect in Transition States of Redox Processes." In Fundamental and Biomedical Aspects of Redox Processes, edited by Gheorghe Duca and Ashok Vaseashta, 71-110. Hershey, PA: IGI Global, 2023. https://doi.org/10.4018/978-1-6684-7198-2.ch004

Export Reference

Mendeley
Favorite

Abstract

The authors show that the instability of the transition (activated) states of chemical reactions are due to the vibronic coupling of the ground electronic state with the appropriate low-lying excited states, resulting in the pseudo Jahn-Teller effect (PJTE). In application to reactions relevant to environmental problems, the PJTE origin of their activation barrier is illustrated by several examples, including the proton transfer in deprotonated H3O2- and protonated H5O2+(H2O)4 water clusters and in a number of proton-bound dimers. The results can serve as a general parametrized analytical model of the potential energy profile in simulating proton transfer processes in such systems. It also includes modeling the polarizing effect of the solvent, serving as an additional stabilizing factor in intramolecular H-bonds. Similarly, it is shown that the transition states of photochemical reactions are formed by the PJTE interaction of the relevant excited state with a higher in energy electronic state. Examples of electron transfer and charge transfer by coordination are also shown.

Request Access

You do not own this content. Please login to recommend this title to your institution's librarian or purchase it from the IGI Global bookstore.