Skip to main content

Research Repository

Advanced Search

Low-Energy Shape Resonances of a Nucleobase in Water

Cooper, Graham A.; Clarke, Connor J.; Verlet, Jan R.R.

Low-Energy Shape Resonances of a Nucleobase in Water Thumbnail


Graham A. Cooper

Connor J. Clarke


When high-energy radiation passes through aqueous material, low-energy electrons are produced which cause DNA damage. Electronic states of anionic nucleobases have been suggested as an entrance channel to capture the electron. However, identifying these electronic resonances have been restricted to gas-phase electron-nucleobase studies and offer limited insight into the resonances available within the aqueous environment of DNA. Here, resonance and detachment energies of the micro-hydrated uracil pyrimidine nucleobase anion are determined by two-dimensional photoelectron spectroscopy and are shown to extrapolate linearly with cluster size. This extrapolation allows the corresponding resonance and detachment energies to be determined for uracil in aqueous solution as well as the reorganization energy associated with electron capture. Two shape resonances are clearly identified that can capture low-energy electrons and subsequently form the radical anion by solvent stabilization and internal conversion to the ground electronic state. The resonances and their dynamics probed here are the nucleobase-centered doorway states for low-energy electron capture and damage in DNA.


Cooper, G. A., Clarke, C. J., & Verlet, J. R. (2022). Low-Energy Shape Resonances of a Nucleobase in Water. Journal of the American Chemical Society, 145(2), 1319-1326.

Journal Article Type Article
Acceptance Date Oct 28, 2022
Online Publication Date Dec 30, 2022
Publication Date 2022
Deposit Date Jan 26, 2023
Publicly Available Date Jan 26, 2023
Journal Journal of the American Chemical Society
Print ISSN 0002-7863
Electronic ISSN 1520-5126
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 145
Issue 2
Pages 1319-1326


You might also like

Downloadable Citations