Improvement of the electrochemical and singlet fission properties of anthraquinones by modification of the diradical character-Reference-Cited by-同舟云学术

Improvement of the electrochemical and singlet fission properties of anthraquinones by modification of the diradical character

Published:2019 Issue:15 Volume:21 Page:7941-7952
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

López-Carballeira Diego¹²³⁴⁵^ORCID,Zubiria María⁶⁷⁵,Casanova David⁶⁷⁵⁸⁹^ORCID,Ruipérez Fernando¹²³⁴⁵^ORCID

Affiliation:

1. POLYMAT

2. University of the Basque Country UPV/EHU

3. Joxe Mari Korta Center

4. San Sebastián

5. Spain

6. Donostia International Physics Center (DIPC)

7. 20018 Donostia

8. IKERBASQUE

9. Basque Foundation for Science

Abstract

Quantum chemistry is employed to estimate the effects that the structural modification of 1,5- and 9,10-anthraquinones produces in their electronic structure, in the pursuit of a common strategy to improve the electrochemical and singlet fission features on conjugated quinones.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07358A

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