Potential energy surfaces of a stacked dimer of benzene and its radical cation: what remains and what appears-Reference-Cited by-同舟云学术

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Potential energy surfaces of a stacked dimer of benzene and its radical cation: what remains and what appears

Published:2022 Issue:29 Volume:24 Page:17547-17560
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Beregovaya Irina V.¹^ORCID,Shchegoleva Lyudmila N.¹^ORCID

Affiliation:

1. N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, SB RAS, 9 Ac. Lavrentiev Ave., Novosibirsk 630090, Russia

Abstract

Each considered potential energy surface (PES) is a network of interconnected pseudorotation paths. The two-domain architecture of the PES of (C6H6)2+˙ comes from orbital isomerism.

Funder

Russian Foundation for Basic Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP01691E

Reference42 articles.

1. Potential energy surface as a key to understanding the structure and properties of short-living radical ions of cyclic organic molecules

2. Theoretical study of Jahn–Teller distortions in C6H+6 and C6F+6

3. Modern Aspects of the Jahn−Teller Effect Theory and Applications To Molecular Problems

4. Accurate configuration interaction calculations of the hyperfine interactions in the benzene cation

5. On the Shape of C 6 H 6 +

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