Cytosine Radical Cations: A Gas-Phase Study Combining IRMPD Spectroscopy, UVPD Spectroscopy, Ion-Molecule Reactions, and Theoretical Calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F17%3A00476125" target="_blank" >RIV/61388963:_____/17:00476125 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1002/cphc.201700281" target="_blank" >http://dx.doi.org/10.1002/cphc.201700281</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/cphc.201700281" target="_blank" >10.1002/cphc.201700281</a>
Alternative languages
Result language
angličtina
Original language name
Cytosine Radical Cations: A Gas-Phase Study Combining IRMPD Spectroscopy, UVPD Spectroscopy, Ion-Molecule Reactions, and Theoretical Calculations
Original language description
The radical cation of cytosine (CytC(+)) is generated by dissociative oxidation from a ternary Cu-II complex in the gas phase. The radical cation is characterized by infrared multiple photon dissociation (IRMPD) spectroscopy in the fingerprint region, UV/Vis photodissociation (UVPD) spectroscopy, ion-molecule reactions, and theoretical calculations (density functional theory and ab initio). The experimental IRMPD spectrum features diagnostic bands for two enol-amino and two ketoamino tautomers of CytC(+) that are calculated to be among the lowest energy isomers, in agreement with a previous study. Although the UVPD action spectrum can also be matched to a combination of the four lowest energy tautomers, the presence of a nonclassical distonic radical cation cannot be ruled out. Its formation is, however, unlikely due to the high energy of this isomer and the respective ternary Cu-II complex. Gas-phase ion-molecule reactions showed that CytC(+) undergoes hydrogen-atom abstraction from 1-propanethiol, radical recombination reactions with nitric oxide, and electron transfer from dimethyl disulfide.
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
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ChemPhysChem
ISSN
1439-4235
e-ISSN
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Volume of the periodical
18
Issue of the periodical within the volume
10
Country of publishing house
DE - GERMANY
Number of pages
9
Pages from-to
1293-1301
UT code for WoS article
000402713200011
EID of the result in the Scopus database
2-s2.0-85017420176