ArticleJournal of the American Chemical Society2022
Why the Photochemical Reaction of Phenol Becomes Ultrafast at the Air-Water Interface: The Effect of Surface Hydration.
Article in Journal of the American Chemical Society, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Phase-Resolved Dual Control of Phenol Photodissociation at the Air-Water Interface From Structure-Resolved Statistics.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Microhydration and Interfacial Activity of Triarylmethane Dyes at the Air-Water Interface.The journal of physical chemistry. B · 2026Article
- Reevaluating Anomalous Electric Fields at the Air-Water Interface: A Surface-Specific Spectroscopic Survey.Journal of the American Chemical Society · 2025Article
- Valence Electronic Structure of Interfacial Phenol in Water Droplets.The journal of physical chemistry. A · 2024Article
- The Role of Sum-Frequency Generation Spectroscopy in Understanding On-Surface Reactions and Dynamics in Atmospheric Model-Systems.The journal of physical chemistry letters · 2024Review
- Ab initio protein structure prediction: the necessary presence of external force field as it is delivered by Hsp40 chaperone.BMC bioinformatics · 2023Article
- Pushing Photochemistry into Water: Acceleration of the Di-π-Methane Rearrangement and the Paternó-Büchi Reaction "On-Water".Chemistry (Weinheim an der Bergstrasse, Germany) · 2023Article
- Secondary Structure in Amyloids in Relation to Their Wild Type Forms.International journal of molecular sciences · 2022Article
- Photooxidation of the Phenolate Anion is Accelerated at the Water/Air Interface.Journal of the American Chemical Society · 2022Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Photochemical reactions at the air-water interface can show remarkably different rates from those in bulk water. The present study elucidates the reaction mechanism of phenol characteristic at the air-water interface by the combination of molecular dynamics simulation and quantum chemical calculations of the excited states. We found that incomplete hydrogen bonding to phenol at the air-water interface affects excited states associated with the conical intersection and significantly reduces the reaction barrier, resulting in the distinctively facilitated rate in comparison with the bulk phase. The present study indicates that the reaction dynamics can be substantially different at the interfaces in general, reflecting the difference in the stabilization energy of the electronic states in markedly different solvation at the interface.
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Registered trials
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