Quantum mechanics/molecular mechanics studies on the mechanistic photophysics of sunscreen oxybenzone in methanol solution-Reference-Cited by-同舟云学术

Quantum mechanics/molecular mechanics studies on the mechanistic photophysics of sunscreen oxybenzone in methanol solution

Published:2022 Issue:21 Volume:24 Page:13293-13304
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chang Xue-Ping¹^ORCID,Yu Li¹^ORCID,Zhang Teng-Shuo²,Cui Ganglong³^ORCID

Affiliation:

1. College of Chemistry and Chemical Engineering, Xinyang Normal University, Xinyang 464000, China

2. College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China

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

Abstract

We report a QM(CASPT2//CASSCF)/MM study on the photophysical and photochemical mechanism of oxybenzone (OB) in methanol solution.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Henan Province

Xinyang Normal University

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/D2CP01263D

Reference95 articles.

1. Unravelling the Photoprotective Mechanisms of Nature-Inspired Ultraviolet Filters Using Ultrafast Spectroscopy

2. Photoprotection: extending lessons learned from studying natural sunscreens to the design of artificial sunscreen constituents

3. Photophysics of sunscreen molecules in the gas phase: a stepwise approach towards understanding and developing next-generation sunscreens

4. Applications of ultrafast spectroscopy to sunscreen development, from first principles to complex mixtures

5. Mechanistic photophysics and photochemistry of unnatural bases and sunscreen molecules: insights from electronic structure calculations

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