Photochemical formation of the elusive Dewar isomers of aromatic systems: why are substituted azaborines different?-Reference-Cited by-同舟云学术

Photochemical formation of the elusive Dewar isomers of aromatic systems: why are substituted azaborines different?

Published:2024 Issue:15 Volume:26 Page:11295-11305
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Arpa Enrique M.¹²^ORCID,Stafström Sven³^ORCID,Durbeej Bo¹^ORCID

Affiliation:

1. Division of Theoretical Chemistry, IFM, Linköping University, 58183 Linköping, Sweden

2. Institute of Organic Chemistry, RWTH Aachen University, 52056 Aachen, Germany

3. Division of Theoretical Physics, IFM, Linköping University, 58183 Linköping, Sweden

Abstract

Quantum-chemical calculations combined with molecular-dynamics simulations reveal mechanisms for improving the quantum yields by which aromatic compounds form their non-aromatic Dewar isomers, with potential implications in solar-energy storage.

Funder

Vetenskapsrådet

Carl Tryggers Stiftelse för Vetenskaplig Forskning

Olle Engkvists Stiftelse

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00777H

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5. Photochemistry of some simple aromatic molecules in the gaseous state

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