Gas-Phase Peroxyl Radical Recombination Reactions: A Computational Study of Formation and Decomposition of Tetroxides.

ABSTRACT: The recombination ("dimerization") of peroxyl radicals (RO₂•) is one of the pathways suggested in the literature for the formation of peroxides (ROOR', often referred to as dimers or accretion products in the literature) in the atmosphere. It is generally accepted that these dimers play a major role in the first steps of the formation of submicron aerosol particles. However, the precise reaction pathways and energetics of RO₂• + R'O₂• reactions are still unknown. In this work, we have studied the formation of tetroxide intermediates (RO₄R'): their formation from two peroxyl radicals and their decomposition to triplet molecular oxygen (³O₂) and a triplet pair of alkoxyl radicals (RO•). We demonstrate this mechanism for severa

SUBMITTER: Salo VT 

PROVIDER: S-EPMC9251773 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature