School of Science
Australian Research Council
Faculty of Science at the University of Western Australia
School of Molecular Sciences
Faculty of Science
Research Training Program (RTP) scholarships
UWA Dean's Excellence in Science PhD Scholarship
Center for Materials Crystallography at Aarhus University in Denmark
Danish National Research Foundation. Grant Number: DNRF93
ARC Number : LE110100093
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.
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Robinson, H. T., Corkish, T. R., Haakansson, C. T., Watson, P. D., McKinley, A. J., & Wild, D. A. (2022). Spectroscopic study of the Br−+ CH3I→ I−+ CH3Br SN2 reaction. ChemPhysChem, 23(21), Article e202200278. https://doi.org/10.1002/cphc.202200278