Surface hopping dynamics reveal ultrafast triplet generation promoted by S1–T2–T1 spin-vibronic coupling in 2-mercaptobenzothiazole-Reference-Cited by-同舟云学术

Surface hopping dynamics reveal ultrafast triplet generation promoted by S1–T2–T1 spin-vibronic coupling in 2-mercaptobenzothiazole

Published:2021 Issue:36 Volume:23 Page:20183-20192
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

M. J. Chithra¹,Nag Probal¹,Vennapusa Sivaranjana Reddy¹^ORCID

Affiliation:

1. School of Chemistry, Indian Institute of Science Education and Research Thiruvananthapuram (IISER TVM), Maruthamala PO, Vithura, Thiruvananthapuram 695551, Kerala, India

Abstract

The spin-vibronic coupling between S1–T2–T1 states leads to efficient T1 generation in 2-mercaptobenzothiazole.

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/D1CP02587B

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