Wong, Natalie, Rankine, Conor orcid.org/0000-0002-7104-847X and Dessent, Caroline Elizabeth Helen orcid.org/0000-0003-4944-0413 (2021) Linking Electronic Relaxation Dynamics and Ionic Photofragmentation Patterns for the Deprotonated UV Filter Benzophenone-4. JOURNAL OF PHYSICAL CHEMISTRY LETTERS. pp. 2831-2836. ISSN 1948-7185
Abstract
Understanding how deprotonation impacts on the photophysics of UV filters is critical to better characterize how they behave in key alkaline environments including surface waters and coral reefs. Using anion photodissociation spectroscopy, we have measured the intrinsic absorption electronic spectroscopy (400-214 nm) and numerous accompanying ionic photofragmentation pathways of the benzophenone-4 anion ([BP4–H]–). Relative ion yield plots reveal the locations of the bright S1 and S3 excited states. For the first time for an ionic UV filter, ab initio potential energy surfaces are presented to provide new insight into how the photofragment identity maps the relaxation pathways. These calculations reveal that [BP4–H]– undergoes excited-state decay consistent with a statistical fragmentation process where the anion breaks down on the ground state after non-radiative relaxation. The broader relevance of the results in providing a basis for interpreting the relaxation dynamics of a wide range ionic systems is discussed.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2021 The Authors. Published by American Chemical Society |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Chemistry (York) |
Depositing User: | Pure (York) |
Date Deposited: | 29 Mar 2021 11:10 |
Last Modified: | 21 Jan 2025 17:52 |
Published Version: | https://doi.org/10.1021/acs.jpclett.1c00423 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1021/acs.jpclett.1c00423 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:172665 |