Accelerated Self-Photopolymerization of Phenolics in Microdroplets Contributes to the Brown Carbon Formation

While phenolic compounds are recognized as key atmospheric precursors of brown carbon (BrC), the mechanisms governing their interfacial transformation into BrC aerosols, particularly at the microdroplet air-water interface (AWI), remain incompletely characterized. This study investigated the photolysis of phenolic compounds in microdroplets under UV irradiation, revealing a transformation efficiency 2 orders of magnitude higher than that in bulk solutions. Through integrated Fourier transform ion cyclotron resonance mass spectrometry, liquid chromatography-mass spectrometry, and fluorescence excitation-emission matrix spectrum, we identified interfacial-confined oligomerization as the dominant pathway generating BrC with oligomer characteristics. Multiscale theoretical simulations unveiled that the AWI functions as a key mediator through a synergistic mechanism: it not only drives the spontaneous accumulation of phenols at the interface, but also enhances their photon absorption efficiency via asymmetric interfacial H-π hydrogen bonding, as evidenced by a critical 24.7% increase in the molar extinction coefficient at 298 nm. Together, these dual effects synergistically facilitate photon capture and subsequent phenoxy radical generation. Our results establish the AWI as photochemical nanoreactors that fundamentally alter atmospheric BrC formation kinetics, providing a mechanistic framework to reconcile field observations of rapid aerosol aging under humid conditions, while challenging current model assumptions about phenolic transformation time scales.

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Publication Details

Journal
Journal of the American Chemical Society
Published
2026-07-16
DOI
https://doi.org/10.1021/jacs.6c10186
Primary Topic
Photopolymerization techniques and applications
Type
article
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article

Accelerated Self-Photopolymerization of Phenolics in Microdroplets Contributes to the Brown Carbon Formation

Davide Vione, Joseph S. Francisco, Longgang Chu, Haoran Yu et al.
Journal of the American Chemical Society
Photopolymerization techniques and applications
article

Accelerated Self-Photopolymerization of Phenolics in Microdroplets Contributes to the Brown Carbon Formation

Davide Vione, Joseph S. Francisco, Longgang Chu, Haoran Yu, Bing Wu, Chongqin Zhu, Hongqiang Ren, Juan Gao, Ruobing Wang, Cheng Gu, Xinrui Yang, Z X Sun
article en

Abstract

While phenolic compounds are recognized as key atmospheric precursors of brown carbon (BrC), the mechanisms governing their interfacial transformation into BrC aerosols, particularly at the microdroplet air-water interface (AWI), remain incompletely characterized. This study investigated the photolysis of phenolic compounds in microdroplets under UV irradiation, revealing a transformation efficiency 2 orders of magnitude higher than that in bulk solutions. Through integrated Fourier transform ion cyclotron resonance mass spectrometry, liquid chromatography-mass spectrometry, and fluorescence excitation-emission matrix spectrum, we identified interfacial-confined oligomerization as the dominant pathway generating BrC with oligomer characteristics. Multiscale theoretical simulations unveiled that the AWI functions as a key mediator through a synergistic mechanism: it not only drives the spontaneous accumulation of phenols at the interface, but also enhances their photon absorption efficiency via asymmetric interfacial H-π hydrogen bonding, as evidenced by a critical 24.7% increase in the molar extinction coefficient at 298 nm. Together, these dual effects synergistically facilitate photon capture and subsequent phenoxy radical generation. Our results establish the AWI as photochemical nanoreactors that fundamentally alter atmospheric BrC formation kinetics, providing a mechanistic framework to reconcile field observations of rapid aerosol aging under humid conditions, while challenging current model assumptions about phenolic transformation time scales.

Journal of the American Chemical Society
Chinese Academy of Sciences (CN), Beijing Normal University (CN), California University of Pennsylvania (US), State Key Laboratory of Pollution Control and Resource Reuse (CN), China University of Petroleum, East China (CN), Institute of Soil Science (CN), University of Turin (IT), Ocean University of China (CN), Nanjing University (CN)
Openalex Percentile: Top 15%
Photopolymerization techniques and applications
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