Dynamics of benzene excimer formation from the parallel-displaced dimer

Author:

Cardozo Thiago Messias1234ORCID,Galliez Andre Pessoa1234,Borges Itamar564ORCID,Plasser Felix789ORCID,Aquino Adelia J. A.1011121314ORCID,Barbatti Mario1516171819ORCID,Lischka Hans1011121314ORCID

Affiliation:

1. Instituto de Química

2. Universidade Federal do Rio de Janeiro

3. Rio de Janeiro

4. Brazil

5. Departamento de Química

6. Instituto Militar de Engenharia

7. Department of Chemistry

8. Loughborough University

9. UK

10. School of Pharmaceutical Sciences and Technology

11. Tianjin University

12. Tianjin 300072

13. P. R. China

14. Department of Chemistry and Biochemistry

15. Aix Marseille Univ

16. CNRS

17. ICR

18. Marseille

19. France

Abstract

Charge transfer, exciton localization and time scales in benzene excimer formation after a S0–S1 transition from the parallel-displaced structure were characterized by surface-hopping dynamics.

Funder

Agence Nationale de la Recherche

Tianjin University

Los Alamos National Laboratory

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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