Acenes and phenacenes in their lowest-lying triplet states. Does kinked remain more stable than straight?-Reference-Cited by-同舟云学术

Acenes and phenacenes in their lowest-lying triplet states. Does kinked remain more stable than straight?

Published:2021 Issue:24 Volume:23 Page:13574-13582
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Pino-Rios Ricardo¹²³⁴⁵^ORCID,Báez-Grez Rodrigo⁶⁷⁸⁹⁵^ORCID,Solà Miquel¹⁰¹¹¹²¹³^ORCID

Affiliation:

1. Laboratorio de Química Teórica

2. Facultad de Química y Biología

3. Universidad de Santiago de Chile (USACH)

4. Región Metropolitana

5. Chile

6. Computational and Theoretical Chemistry Group

7. Departamento de Ciencias Químicas, Facultad de Ciencias Exactas

8. Universidad Andres Bello

9. Santiago

10. Institut de Química Computacional i Catàlisi and Departament de Química

11. Universitat de Girona

12. 17003 Girona

13. Spain

Abstract

The relative stability of phenacenes compared to their acene isomers in their lowest-lying triplet states can be explained by a combination their (anti)aromatic character and the presence of H⋯H repulsions in the bay region of phenacenes.

Funder

Generalitat de Catalunya

Fondo Nacional de Desarrollo Científico y Tecnológico

Ministerio de Economía y Competitividad

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP01441B

Reference84 articles.

1. Introduction: Aromaticity

2. Reversal of Hückel (anti)aromaticity in the lowest triplet states of hexaphyrins and spectroscopic evidence for Baird's rule

3. Energetics of Baird aromaticity supported by inversion of photoexcited chiral [4n]annulene derivatives

4. Bicyclic Baird-type aromaticity

5. Exciting excited-state aromaticity

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