Methyl substitution enhanced photoisomerization of trans,trans-1,4-diphenyl-1,3-butadiene: direct ab initio trajectory surface hopping dynamic simulations-Reference-Cited by-同舟云学术

Methyl substitution enhanced photoisomerization of trans,trans-1,4-diphenyl-1,3-butadiene: direct ab initio trajectory surface hopping dynamic simulations

Published:2018 Issue:4 Volume:20 Page:2260-2273
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fan Yueqian¹²³⁴⁵,Chen Juan¹²³⁴⁵,Yu Le¹²³⁴⁵^ORCID,Li Anyang¹²³⁴⁵^ORCID,Zhai Gaohong¹²³⁴⁵,Lei Yibo¹²³⁴⁵^ORCID,Zhu Chaoyuan⁶⁷⁸⁹¹⁰^ORCID

Affiliation:

1. Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education

2. College of Chemistry & Materials Science

3. Shaanxi key Laboratory of Physico-Inorganic Chemistry

4. Northwest University

5. Xi’an

6. Institute of Molecular Science

7. Department of Applied Chemistry and Center for Interdisciplinary Molecular Science

8. National Chiao-Tung University

9. Hsinchu 300

10. Taiwan

Abstract

Methyl substitution on the butadienyl double bond carbon enhances the photoisomerization of tt-DPB remarkably.

Funder

National Natural Science Foundation of China

Northwest University

Ministry of Science and Technology of the People's Republic of China

National Chiao Tung University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP07465D

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5. Photochemistry of polyenes. 23. Application of the H.T.-n mechanism of photoisomerization to the photocycles of bacteriorhodopsin. A model study

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