A SIFT-MS study of positive and negative ion chemistry of the ortho-, meta- and para-isomers of cymene, cresol, and ethylphenol
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F23%3A00573657" target="_blank" >RIV/61388955:_____/23:00573657 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11320/23:10468489
Result on the web
<a href="https://hdl.handle.net/11104/0344048" target="_blank" >https://hdl.handle.net/11104/0344048</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/D3CP02123H" target="_blank" >10.1039/D3CP02123H</a>
Alternative languages
Result language
angličtina
Original language name
A SIFT-MS study of positive and negative ion chemistry of the ortho-, meta- and para-isomers of cymene, cresol, and ethylphenol
Original language description
Selected Ion Flow Tube Mass Spectrometry (SIFT-MS) is a soft ionisation technique based on gas phase ion–molecule reaction kinetics for the quantification of trace amounts of volatile organic compound vapours. One of its previous limitations is difficulty in resolving isomers, although this can now be overcome using different reactivities of several available reagent cations and anions (H3O+, NO+, O2+˙, O−˙, OH−, O2−˙, NO2−, NO3−). Thus, the ion–molecule reactions of these eight ions with all isomers of the aromatic compounds cymene, cresol and ethylphenol were studied to explore the possibility of their immediate identification and quantification without chromatographic separation. Rate coefficients and product ion branching ratios determined experimentally for the 72 reactions are reported. DFT calculations of their energetics confirmed the feasibility of the suggested reaction pathways. All positive ion reactions proceeded fast but largely did not discriminate between the isomers. The reactivity of the anions was much more varied. In all cases, OH− reacts by proton transfer forming (M–H), NO2− and NO3− were unreactive. The differences observed for product ion branching ratios can be used to identify isomers approximately.n
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
<a href="/en/project/GA21-25486S" target="_blank" >GA21-25486S: Selected ion flow drift tube mass spectrometry with negative ions and nitrogen carrier gas</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
1463-9084
Volume of the periodical
25
Issue of the periodical within the volume
27
Country of publishing house
GB - UNITED KINGDOM
Number of pages
13
Pages from-to
17815-17827
UT code for WoS article
001018589600001
EID of the result in the Scopus database
2-s2.0-85164284482