Autoxidation of Formaldehyde with Oxygen-A Comparison of Reaction Channels.

ABSTRACT: The autoxidation of formaldehyde through initiation by triplet oxygen is studied via two initial steps: (1) H-atom abstraction and (2) ³O₂ addition reaction. The reaction energy profiles show that the reactions are thermodynamically and kinetically demanding. A comparison of the pathways of these initial reactions and the search for a less energy-demanding pathway is presented. The presence of a Brønsted acid has no effect on the energetics of the reaction, while the presence of a single water molecule catalyst enhances the initial reactions. The H-atom abstraction reaction from formaldehyde results in formyl and hydroperoxy radicals. These radicals on further reaction with the second equivalent of ³O₂ lead to a CO + 2HO₂ product chann

SUBMITTER: Lakshmanan S 

PROVIDER: S-EPMC8892663 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature