Selective formation and spectroscopic characterization of the H2CCS<SUP>•</SUP><SUP>+</SUP> radical cation via dissociative ionization of thiophene
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F25%3A00635737" target="_blank" >RIV/61388955:_____/25:00635737 - isvavai.cz</a>
Výsledek na webu
<a href="https://hdl.handle.net/11104/0366772" target="_blank" >https://hdl.handle.net/11104/0366772</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/5.0260839" target="_blank" >10.1063/5.0260839</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Selective formation and spectroscopic characterization of the H2CCS<SUP>•</SUP><SUP>+</SUP> radical cation via dissociative ionization of thiophene
Popis výsledku v původním jazyce
The chemistry of sulfur-containing molecules is of significant interest to fields ranging from the combustion of petrochemicals to astrochemistry (with multiple S-containing species unambiguously detected in the interstellar medium or circumstellar shells). Here, infrared predissociation action spectroscopy and mass-analyzed ion kinetic energy spectroscopy measurements of the m/z 58 fragment from the dissociative ionization of thiophene are presented. Comparison is made between these experimental results and ab initio calculations (of both the spectral features and the fragmentation potential energy surface), which allows the fragment to be identified as the H2CCS center dot+ radical cation. This conclusive identification addresses long-standing questions about the dissociative ionization of thiophene. The findings will enable further spectroscopic measurements and reactivity studies to be conducted, allowing H2CCS center dot+ to be incorporated into models of astrochemical environments.<br /> (c) 2025 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license(https://creativecommons.org/licenses/by/4.0/).
Název v anglickém jazyce
Selective formation and spectroscopic characterization of the H2CCS<SUP>•</SUP><SUP>+</SUP> radical cation via dissociative ionization of thiophene
Popis výsledku anglicky
The chemistry of sulfur-containing molecules is of significant interest to fields ranging from the combustion of petrochemicals to astrochemistry (with multiple S-containing species unambiguously detected in the interstellar medium or circumstellar shells). Here, infrared predissociation action spectroscopy and mass-analyzed ion kinetic energy spectroscopy measurements of the m/z 58 fragment from the dissociative ionization of thiophene are presented. Comparison is made between these experimental results and ab initio calculations (of both the spectral features and the fragmentation potential energy surface), which allows the fragment to be identified as the H2CCS center dot+ radical cation. This conclusive identification addresses long-standing questions about the dissociative ionization of thiophene. The findings will enable further spectroscopic measurements and reactivity studies to be conducted, allowing H2CCS center dot+ to be incorporated into models of astrochemical environments.<br /> (c) 2025 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license(https://creativecommons.org/licenses/by/4.0/).
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
Návaznosti výsledku
Projekt
<a href="/cs/project/LTC20062" target="_blank" >LTC20062: Reactivity of negative ions in the gas phase</a><br>
Návaznosti
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2025
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Journal of Chemical Physics
ISSN
0021-9606
e-ISSN
1089-7690
Svazek periodika
162
Číslo periodika v rámci svazku
16
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
12
Strana od-do
164304
Kód UT WoS článku
001476941700014
EID výsledku v databázi Scopus
2-s2.0-105003313208