Clustering effects on the reactivity of alkoxy radicals: Rate coefficients of ³(RO...OR) complexes accounting for multiple conformers †

Hongye Fraise Zhao; Lauri Franzon; Severi Juttula; Robert E. N. Skog; Nanna Myllys; Theo Kurtén

doi:10.1039/d5cp04635a

January 1, 2026Physical Chemistry Chemical PhysicsOpen Access

Clustering effects on the reactivity of alkoxy radicals: Rate coefficients of ³(RO...OR) complexes accounting for multiple conformers †

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Key Points

The research aims to understand how clustering effects influence the reactivity of alkoxy radicals, specifically through computational modeling methods.
Utilized computational simulations to study alkoxy and peroxy radical interactions
Analyzed multiple conformer states of the RO₂· and RO· complexes
Calculated rate coefficients for the recombination reactions of these radical species
Demonstrated significant variations in reactivity based on clustering effects
Identified specific conformers that substantially affect recombination rates
Provided new insights into the role of alkoxy radicals in secondary organic aerosol formation

Implication

Computational analysis reveals rate coefficients of alkoxy radical interactions, suggesting implications for secondary organic aerosol formation.

Abstract

Atmospheric peroxy (RO₂·) and alkoxy (RO·) radical species are crucial intermediates in the formation of secondary organic aerosol (SOA). Recent computational work has demonstrated that recombination reactions of peroxy radicals...

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Cite This Study

Zhao et al. (2026) studied this question.

synapsesocial.com/papers/69e472a8010ef96374d8eae5 https://doi.org/10.1039/d5cp04635a

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Clustering effects on the reactivity of alkoxy radicals: Rate coefficients of ³(RO...OR) complexes accounting for multiple conformers †

Key Points

Implication

Abstract

Discussion

Cite This Study

Clustering effects on the reactivity of alkoxy radicals: Rate coefficients of ³(RO...OR) complexes accounting for multiple conformers †

Key Points

Implication

Abstract

Discussion

Cite This Study

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