Protonation Isomer Specific Ion-Molecule Radical Reactions

Publication Name

Journal of the American Chemical Society


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


Funding Sponsor

Australian Government



Link to publisher version (DOI)