Spectroscopic Study of the Br−+CH3I→I−+CH3Br SN2 Reaction

Abstract

Mass spectrometry and anion photoelectron spectroscopy have been used to study the gas-phase S_N2 reaction involving Br^- and CH₃I. The anion photoelectron spectra associated with the reaction intermediates of this S_N2 reaction are presented. High-level CCSD(T) calculations have been utilised to investigate the reaction intermediates that may form as a result of the S_N2 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.

Peter Watson

Forrest Fellow, Lecturer

A physical chemist interested in instrument design for novel chemical problems and the breadth of spectroscopic methods.