Combined QM (MS-CASPT2)/MM studies on photocyclization and photoisomerization of a fulgide derivative in toluene solution-Reference-Cited by-同舟云学术

Combined QM (MS-CASPT2)/MM studies on photocyclization and photoisomerization of a fulgide derivative in toluene solution

Published:2022 Issue:48 Volume:24 Page:29918-29926
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Peng Ling-Ya¹,Li Zi-Wen¹,Fang Qiu¹,Xie Bin-Bin²,Xia Shu-Hua³^ORCID,Cui Ganglong¹^ORCID

Affiliation:

1. Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China

2. Hangzhou Institute of Advanced Studies, Zhejiang Normal University, Hangzhou 311231, Zhejiang, China

3. College of Life and Environmental Sciences, Minzu University of China, Beijing 100081, China

Abstract

Theoretical studies uncover the photocyclization and photoisomerization channels of a fulgide derivative in toluene solution.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP03807B

Reference62 articles.

1. Die Farbe der „Fulgensäuren”︁ und „Fulgide”︁. (7. Abhandlung über Butadiënverbindungen.)

2. Die Fulgide

3. Fulgides for Memories and Switches

4. Optical Properties and Applications of Photochromic Fulgides

5. All-Optical Operation Cycle on Molecular Bits with 250-GHz Clock-Rate Based on Photochromic Fulgides

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