Orbital-free photophysical descriptors to predict directional excitations in metal-based photosensitizers-Reference-Cited by-同舟云学术

Orbital-free photophysical descriptors to predict directional excitations in metal-based photosensitizers

Published:2020 Issue:29 Volume:11 Page:7685-7693
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Sánchez-Murcia Pedro A.¹²³⁴⁵^ORCID,Nogueira Juan J.⁶⁷⁸⁹^ORCID,Plasser Felix¹⁰¹¹¹²¹³^ORCID,González Leticia¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Theoretical Chemistry

2. Faculty of Chemistry

3. University of Vienna

4. 1090 Vienna

5. Austria

6. Department of Chemistry and Institute for Advanced Research in Chemistry

7. Universidad Autónoma de Madrid

8. Madrid

9. Spain

10. Department of Chemistry

11. Loughborough University

12. Loughborough

13. UK

Abstract

We report the descriptor substituent-induced exciton localization, which together with the excited-electron delocalization length concept, is able to quantify how functional groups affect the directionality of light-driven electronic excitations.

Funder

Austrian Science Fund

Comunidad de Madrid

Universität Wien

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/SC/D0SC01684E

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