The Influence of Water Molecules on the π* Shape Resonances of the Thymine Anion

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

The Influence of Water Molecules on the π* Shape Resonances of the Thymine Anion

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

The Influence of Water Molecules on the π* Shape Resonances of the Thymine Anion

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry A

ISSN

1089-5639

e-ISSN

1520-5215

Svazek periodika

129

Číslo periodika v rámci svazku

26

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

5771-5778

Kód UT WoS článku

001485871900001

EID výsledku v databázi Scopus

2-s2.0-105004737629