Photoisomerization-mechanism-associated excited-state hydrogen transfer in 2′-hydroxychalcone revealed by on-the-fly trajectory surface-hopping molecular dynamics simulation-Reference-Cited by-同舟云学术

Photoisomerization-mechanism-associated excited-state hydrogen transfer in 2′-hydroxychalcone revealed by on-the-fly trajectory surface-hopping molecular dynamics simulation

Published:2021 Issue:7 Volume:23 Page:4300-4310
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hu Ying¹²³,Yue Ling⁴⁵⁶⁷⁸^ORCID,Gu Feng Long¹²³^ORCID,Zhu Chaoyuan¹²³⁹¹⁰^ORCID

Affiliation:

1. Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education; School of Chemistry & Environment of South China Normal University

2. Guangzhou 51006

3. P. R. China

4. Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, Ministry of Education

5. School of Chemistry

6. Xi’an Jiaotong University

7. Xi’an

8. China

9. Department of Applied Chemistry and Institute of Molecular Science, National Chiao-Tung University

10. Hsinchu 30010

Abstract

Potential energy surface profiles for the excited-state hydrogen transfer of 2′-hydroxychalcone in terms of a complicated conical intersection network from four low-lying singlet electronic states.

Funder

National Natural Science Foundation of China

Ministry of Science and Technology, Taiwan

Ministry of Education

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/D0CP06668K

Reference56 articles.

1. How Does the Trans-Cis Photoisomerization of Azobenzene Take Place in Organic Solvents?

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3. Optomechanical Control of Quantum Yield in Trans -Cis Ultrafast Photoisomerization of a Retinal Chromophore Model

4. A versatile method for the determination of photochemical quantum yieldsviaonline UV-Vis spectroscopy

5. Intrinsic photoisomerization dynamics of protonated Schiff-base retinal

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