Abstract
The stabilization of the pyrimidine anion by the addition of water molecules is studied experimentally using photoelectron spectroscopy of mass-selected hydrated pyrimidine clusters and computationally using quantum-mechanical electronic structure theory. Although the pyrimidine molecular anion is not observed experimentally, the addition of a single water molecule is sufficient to impart a positive electron affinity. The sequential hydration data have been used to extrapolate to -0.22 eV for the electron affinity of neutral pyrimidine, which agrees very well with previous observations. These results for pyrimidine are consistent with previous studies of the hydrated cluster anions of uridine, cytidine, thymine, adenine, uracil, and naphthalene. This commonality suggests a universal effect of sequential hydration on the electron affinity of similar molecules. (Figure Presented).
Recommended Citation
J. T. Kelly et al., "Photoelectron Spectroscopic and Computational Study of Hydrated Pyrimidine Anions," Journal of Physical Chemistry A, vol. 118, no. 51, pp. 11901 - 11907, American Chemical Society, Dec 2014.
The definitive version is available at https://doi.org/10.1021/jp504724v
Department(s)
Chemistry
International Standard Serial Number (ISSN)
1520-5215; 1089-5639
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2024 American Chemical Society, All rights reserved.
Publication Date
26 Dec 2014
PubMed ID
24937484
Comments
National Science Foundation, Grant CHE-0955550