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Spectroscopic Study of the Br- +CH3 I→I- +CH3 Br SN 2 Reaction
Hayden T Robinson1, Timothy R Corkish1, Christian T Haakansson1
1School of Molecular Sciences, The University of Western Australia, Crawley, Western Australia, 6009.
Abstract:
Mass spectrometry and anion photoelectron spectroscopy have been used to study the gas-phase reaction involving and . The anion photoelectron spectra associated with the reaction intermediates of this reaction are presented. High-level CCSD(T) calculations have been utilised to investigate the reaction intermediates that may form as a result of the reaction along various different reaction pathways, including back-side attack and front-side attack. In addition, simulated vertical detachment energies of each reaction intermediate have been calculated to rationalise the photoelectron spectra.
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