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- W2000418002 abstract "Abstract The gas phase ion chemistry of sulfuryl fluoride is studied by ion trap mass spectrometry and ab initio calculations. Reactions of ions of atmospheric relevance with neutral SO 2 F 2 mainly result in SO 2 F 2 depletion by dissociative electron transfer. In few cases, a different reaction mechanism involving F-abstraction is invoked, since dissociative ion products are observed despite the electron transfer channel being endothermic. Ab initio calculations revealed a nearly perfect distonic structure for the molecular SO 2 F 2 + ion, whose capability of activating strong H X bonds (X = C, N, O) is ascribable to the high spin density located on the oxygen atoms, in line with literature reports. Among the ions produced by electron ionization of SO 2 F 2 , the FSO x + ( x = 0–2) ions are capable of activating the H NH 2 bond of ammonia. Theoretical investigation revealed that NH 3 activation by SF + requires a triplet to singlet conversion along the reaction pathway. This conversion is expected to be fast, the conceivable reaction rate determining step being the subsequent intramolecular hydrogen migration." @default.
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- W2000418002 date "2013-11-01" @default.
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- W2000418002 title "Ion chemistry of sulfuryl fluoride: An experimental and theoretical study on gas-phase reactions involving neutral and ionized SO2F2" @default.
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- W2000418002 doi "https://doi.org/10.1016/j.ijms.2013.06.001" @default.
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