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Updated: Apr 8, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
The Effect of Solvation on Electron Attachment to Pure and Hydrated Pyrimidine Clusters
Michael Neustetter1, Julia Aysina1, Filipe Ferreira da Silva2
1Institut für Ionenphysik und Angewandte Physik and Center for Molecular Biosciences, Universität Innsbruck, Technikerstrasse 25, 6020 Innsbruck (Austria).
Abstract:
The interaction of low-energy electrons with biomolecules plays an important role in the radiation-induced alteration of biological tissue at the molecular level. At electron energies below 15 eV, dissociative electron attachment is one of the most important processes in terms of the chemical transformation of molecules. So far, a common approach to study processes at the molecular level has been to carry out investigations with single biomolecular building blocks like pyrimidine as model molecules. Electron attachment to single pyrimidine, as well as to pure clusters and hydrated clusters, was investigated in this study. In striking contrast to the situation with isolated molecules and hydrated clusters, where no anionic monomer is detectable, we were able to observe the molecular anion for the pure clusters. Furthermore, there is evidence that solvation effectively prevents the ring fragmentation of pyrimidine after electron capture.
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