Ab initio quantum dynamical analysis of ultrafast nonradiative transitions via conical intersections in pyrazine-Reference-Cited by-同舟云学术

Ab initio quantum dynamical analysis of ultrafast nonradiative transitions via conical intersections in pyrazine

Published:2015 Issue:3 Volume:17 Page:2012-2014
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Kanno Manabu¹²³⁴⁵,Ito Yuta¹⁶⁷⁵,Shimakura Noriyuki¹⁶⁷⁵,Koseki Shiro¹⁸⁹¹⁰⁵,Kono Hirohiko¹²³⁴⁵,Fujimura Yuichi¹²³⁴⁵

Affiliation:

1. Department of Chemistry

2. Graduate School of Science

3. Tohoku University

4. Sendai 980-8578

5. Japan

6. Niigata University

7. Niigata 950-2181

8. Graduate School of Science, and Research Institute for Molecular Electronic Devices (RIMED)

9. Osaka Prefecture University

10. Sakai 599-8531

Abstract

Ab initio quantum dynamical calculations reveal the contributions of the optically dark S₁ (¹B_3u), S₃ (¹A_u), and S₄ (¹B_2g) states to ultrafast nonradiative transition from the optically bright S₂ (¹B_2u) state in pyrazine and suggest a much faster transition rate than previously believed.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP04807E

Reference62 articles.

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