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

Robinson, Hayden T.; Corkish, Timothy R.; Haakansson, Christian T.; Watson, Peter D.; McKinley, Allan J.; Wild, Duncan A.

doi:10.1002/cphc.202200278

Cited by 3 publications

(1 citation statement)

References 63 publications

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“…The combination of these processes indicates that the anti-formic acid was generated in situ as the gas pulse traverses the experimental apparatus, a phenomenon previously observed in our group associated with the S N 2 reaction of bromide with iodomethane. 66…”

Section: Pccp Papermentioning

confidence: 99%

A tale of two conformers: spectroscopic evidence for halide catalysed formic acid isomerisation

Haakansson

Corkish

Watson

et al. 2022

Phys. Chem. Chem. Phys.

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Section: Pccp Papermentioning

confidence: 99%

A tale of two conformers: spectroscopic evidence for halide catalysed formic acid isomerisation

Haakansson

Corkish

Watson

et al. 2022

Phys. Chem. Chem. Phys.

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Spectroscopic Study of the Br⁻+CH₃I→I⁻+CH₃Br S_N2 Reaction

et al. 2022

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Mass spectrometry and anion photoelectron spectroscopy have been used to study the gas-phase S N 2 reaction involving Br À and CH 3 I. The anion photoelectron spectra associated with the reaction intermediates of this S N 2 reaction are presented. Highlevel CCSD(T) calculations have been utilised to investigate the reaction intermediates that may form as a result of the S N 2 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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Hydrogen Bonding versus Halogen Bonding: Spectroscopic Investigation of Gas‐Phase Complexes Involving Bromide and Chloromethanes

et al. 2023

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Hydrogen bonding and halogen bonding are important noncovalent interactions that are known to occur in large molecular systems, such as in proteins and crystal structures. Although these interactions are important on a large scale, studying hydrogen and halogen bonding in small, gas-phase chemical species allows for the binding strengths to be determined and compared at a fundamental level. In this study, anion photoelectron spectra are presented for the gas-phase complexes involving bromide and the four chloromethanes, CH 3 Cl, CH 2 Cl 2 , CHCl 3 , and CCl 4 . The stabilisation energy and electron binding energy associated with each complex are determined experimentally, and the spectra are rationalised by high-level CCSD(T) calculations to determine the non-covalent interactions binding the complexes. These calculations involve nucleophilic bromide and electrophilic bromine interactions with chloromethanes, where the binding motifs, dissociation energies and vertical detachment energies are compared in terms of hydrogen bonding and halogen bonding.

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Spectroscopic Study of the Br⁻+CH₃I→I⁻+CH₃Br S_N2 Reaction

Cited by 3 publications

References 63 publications

A tale of two conformers: spectroscopic evidence for halide catalysed formic acid isomerisation

A tale of two conformers: spectroscopic evidence for halide catalysed formic acid isomerisation

Spectroscopic Study of the Br⁻+CH₃I→I⁻+CH₃Br S_N2 Reaction

Hydrogen Bonding versus Halogen Bonding: Spectroscopic Investigation of Gas‐Phase Complexes Involving Bromide and Chloromethanes

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