Selective formation and spectroscopic characterization of the H2CCS<SUP>•</SUP><SUP>+</SUP> radical cation via dissociative ionization of thiophene
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Selective formation and spectroscopic characterization of the H2CCS<SUP>•</SUP><SUP>+</SUP> radical cation via dissociative ionization of thiophene
Original language description
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/).
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
—
OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/LTC20062" target="_blank" >LTC20062: Reactivity of negative ions in the gas phase</a><br>
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 Chemical Physics
ISSN
0021-9606
e-ISSN
1089-7690
Volume of the periodical
162
Issue of the periodical within the volume
16
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
164304
UT code for WoS article
001476941700014
EID of the result in the Scopus database
2-s2.0-105003313208