Simulated Photodissociation Dynamics of the N <sub>2</sub> O–H <sub>2</sub> O Complex and Its Atmospheric Relevance

We simulated the photodissociation dynamics of the N<sub>2</sub>O-H<sub>2</sub>O complex under atmospheric conditions using a nuclear ensemble approach. Our trajectory-based simulated photodissociation dynamics of N<sub>2</sub>O-H<sub>2</sub>O offers the first time-resolved theoretical description of how aggregation with water modifies N<sub>2</sub>O photodissociation and quantitatively demonstrates the acceleration of N<sub>2</sub>O photodissociation in the N<sub>2</sub>O-H<sub>2</sub>O complex relative to the N<sub>2</sub>O monomer. We find that the photodissociation of the N<sub>2</sub>O-H<sub>2</sub>O complex leads to atmospherically significant OH radicals, predominantly through complex production. This OH radical production is consistent with the previous experimental studies available on the photodissociation of the N<sub>2</sub>O-H<sub>2</sub>O complex.

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Publication Details

Journal
ACS Omega
Published
2026-01-16
DOI
https://doi.org/10.1021/acsomega.5c03241
Primary Topic
Atmospheric chemistry and aerosols
Type
article
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article

Simulated Photodissociation Dynamics of the N 2 O–H 2 O Complex and Its Atmospheric Relevance

Sara Farahani, Joseph R. Lane
ACS Omega
Atmospheric chemistry and aerosols
article

Simulated Photodissociation Dynamics of the N 2 O–H 2 O Complex and Its Atmospheric Relevance

Sara Farahani, Joseph R. Lane
article en

Abstract

We simulated the photodissociation dynamics of the N<sub>2</sub>O-H<sub>2</sub>O complex under atmospheric conditions using a nuclear ensemble approach. Our trajectory-based simulated photodissociation dynamics of N<sub>2</sub>O-H<sub>2</sub>O offers the first time-resolved theoretical description of how aggregation with water modifies N<sub>2</sub>O photodissociation and quantitatively demonstrates the acceleration of N<sub>2</sub>O photodissociation in the N<sub>2</sub>O-H<sub>2</sub>O complex relative to the N<sub>2</sub>O monomer. We find that the photodissociation of the N<sub>2</sub>O-H<sub>2</sub>O complex leads to atmospherically significant OH radicals, predominantly through complex production. This OH radical production is consistent with the previous experimental studies available on the photodissociation of the N<sub>2</sub>O-H<sub>2</sub>O complex.

ACS OmegaVol. 11(4)
University of Waikato (NZ)
Clean water and sanitation
Openalex Percentile: Top 90%
Atmospheric chemistry and aerosols
DOIOpen Access PDFOpenAlex
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