Protonation Isomer Specific Ion-Molecule Radical Reactions
Publication Name
Journal of the American Chemical Society
Abstract
Through a combination of ion-mobility filtering and laser-equipped quadrupole ion-trap mass spectrometry, the gas-phase reaction kinetics of two protonation isomers of the distonic-radical quinazoline cation are independently measured with ethylene. For these radical addition reactions, protonation site variations drive significant changes in nearby radical reactivity, and this is primarily due to through-space electrostatic effects. Furthermore, quantum chemical methods specifically designed for calculating long-range interactions, such as double-hybrid density functional theory, are required to rationalize the experimentally measured difference in reactivity.
Open Access Status
This publication is not available as open access
Funding Number
DP200100065
Funding Sponsor
Australian Government