Xiaoping Zhang, X. Bai, Liwen Fang
Feb 29, 2016
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Influential Citations
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Journal
Journal of The American Society for Mass Spectrometry
Abstract
AbstractIn negative electrospray ionization mass spectrometry of 4-nitrobenzyl 4-hydroxybenzoates, a decarboxylation reaction, which was significantly promoted by the presence of a nitro group on the benzyl group, competed with radical elimination reactions. Density functional theory calculations indicated that decarboxylation of deprotonated 4-nitrobenzyl vanillate occurred via a radical route involving homolytic cleavage of the Cbenzyl–O bond to give a triplet ion–neutral complex, followed by decarboxylative coupling. Graphical Abstractᅟ