Internally Catalyzed Hydrogen Atom Transfer (<i>I-CHAT</i>)-A New Class of Reactions in Combustion Chemistry.

ABSTRACT: The current paradigm of low-T combustion and autoignition of hydrocarbons is based on the sequential two-step oxygenation of fuel radicals. The key chain-branching occurs when the second oxygenation adduct (OOQOOH) is isomerized releasing an OH radical and a key ketohydroperoxide (KHP) intermediate. The subsequent homolytic dissociation of relatively weak O-O bonds in KHP generates two more radicals in the oxidation chain leading to ignition. Based on the recently introduced intramolecular "catalytic hydrogen atom transfer" mechanism (J. Phys. Chem. 2024, 128, 2169), abbreviated here as I-CHAT, we have identified a novel unimolecular decomposition channel for KHPs to form their classical isomers-enol hydroperoxides (EHP). The uncertainty in the contributi

SUBMITTER: Asatryan R 

PROVIDER: S-EPMC11820802 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature