Atmospheric Chemistry of N-Methylmethanimine (CH₃N═CH₂): A Theoretical and Experimental Study.

ABSTRACT: The OH-initiated photo-oxidation of N-methylmethanimine, CH₃N═CH₂, was investigated in the 200 m³ EUPHORE atmospheric simulation chamber and in a 240 L stainless steel photochemical reactor employing time-resolved online FTIR and high-resolution PTR-ToF-MS instrumentation and in theoretical calculations based on quantum chemistry results and master equation modeling of the pivotal reaction steps. The quantum chemistry calculations forecast the OH reaction to primarily proceed via H-abstraction from the ═CH₂ group and π-system C-addition, whereas H-abstraction from the -CH₃ group is a minor route and forecast that N-addition can be disregarded under atmospheric conditions. Theoretical studies of CH₃N═CH₂ pho

SUBMITTER: Bunkan AJC 

PROVIDER: S-EPMC9150125 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature