Using Distonic Radical Ions to Probe the Chemistry of Key Combustion Intermediates: The Case of the Benzoxyl Radical Anion

…, GN Khairallah, JM White, AJ Richard…

Index: Li, Cong; Lam, Adrian K. Y.; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A. J.; Da Silva, Gabriel Journal of the American Society for Mass Spectrometry, 2013 , vol. 24, # 4 p. 493 - 501

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Abstract

Abstract The benzoxyl radical is a key intermediate in the combustion of toluene and other aromatic hydrocarbons, yet relatively little experimental work has been performed on this species. Here, a combination of electrospray ionization (ESI), multistage mass spectrometry experiments, and density functional theory (DFT) calculations are used to examine the formation and fragmentation of a benzoxyl (benzyloxyl) distonic radical anion. Excited 4- ...