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Spectroscopic Study Of The Br−+Ch3i→I−+Ch3br Sn2 Reaction, Hayden T. Robinson, Timothy R. Corkish, Christian T. Haakansson, Peter D. Watson, Allan J. Mckinley, Duncan A. Wild
Spectroscopic Study Of The Br−+Ch3i→I−+Ch3br Sn2 Reaction, Hayden T. Robinson, Timothy R. Corkish, Christian T. Haakansson, Peter D. Watson, Allan J. Mckinley, Duncan A. Wild
Research outputs 2022 to 2026
Mass spectrometry and anion photoelectron spectroscopy have been used to study the gas-phase SN2 reaction involving Br- and CH3I. The anion photoelectron spectra associated with the reaction intermediates of this SN2 reaction are presented. High-level CCSD(T) calculations have been utilised to investigate the reaction intermediates that may form as a result of the SN2 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.