A high-resolution pulsed field ionization-photoelectron-photoion coincidence study of vinyl bromide

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Original languageEnglish
Pages (from-to)11031-11041
Journal / PublicationJournal of Chemical Physics
Volume120
Issue number23
Publication statusPublished - 15 Jun 2004
Externally publishedYes

Abstract

The unimolecular dissociation reaction of vinyl bromide was investigated using the high-resolution pulsed field ionization-photoelectron (PFI-PE)-photoion coincidence method. The value of the 0 K dissociation energy (D0) for the the C2H3--Br bond was determined from the value of appearance energy for C2H3- (vinyl radical) and the ionization energy (IE) for vinyl bromide. The high-level ab initio calculations for the IE of vinyl radical were performed, at the Gaussian-3 and the CSD(T,full)/CBS level of theory. The TPE spectrum of vinyl bromide were recorded in the energy range of 9.80-12.20 eV.