The Influence of Water Molecules on the π* Shape Resonances of the Thymine Anion
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F25%3A00635820" target="_blank" >RIV/61388955:_____/25:00635820 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0366844" target="_blank" >https://hdl.handle.net/11104/0366844</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpca.5c01948" target="_blank" >10.1021/acs.jpca.5c01948</a>
Alternative languages
Result language
angličtina
Original language name
The Influence of Water Molecules on the π* Shape Resonances of the Thymine Anion
Original language description
Low-energy electrons have been shown to resonantly attach to DNA, inducing strand breakages and other damaging lesions. While computational studies have suggested that the nucleobase moieties can serve as the initial attachment site, there remains ambiguity over the exact character of the temporary anion resonances that form due to the unestablished role of the surrounding environment. Here, we investigate the influence of an aqueous environment on the low-lying anion shape resonances of the pi* character of the thymine anion by applying frequency-resolved photoelectron spectroscopy to thymine-water cluster anions, T-(H2O) n , with an increasing degree of hydration, n. Our results indicate that spontaneous solvent rearrangement will stabilize the pi 2* and pi 3* states into bound electronic states, and we observe evidence for internal conversion to the anion ground state, further aiding long-term electron capture via these resonances.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry A
ISSN
1089-5639
e-ISSN
1520-5215
Volume of the periodical
129
Issue of the periodical within the volume
26
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
5771-5778
UT code for WoS article
001485871900001
EID of the result in the Scopus database
2-s2.0-105004737629