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How to Use Ion-Molecule Reaction Data Previously Obtained in Helium at 300 K in the New Generation of Selected Ion Flow Tube Mass Spectrometry Instruments Operating in Nitrogen at 393 K
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SYSNO ASEP 0574260 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title How to Use Ion-Molecule Reaction Data Previously Obtained in Helium at 300 K in the New Generation of Selected Ion Flow Tube Mass Spectrometry Instruments Operating in Nitrogen at 393 K Author(s) Swift, Stefan James (UFCH-W)
Španěl, Patrik (UFCH-W) RID, ORCID
Sixtová, Nikola (UFCH-W)
Demarais, N. (NZ)Source Title Analytical Chemistry. - : American Chemical Society - ISSN 0003-2700
Roč. 95, č. 29 (2023), s. 11157-11163Number of pages 7 s. Language eng - English Country US - United States Keywords chemical reactions ; ions ; Volatile organic compounds Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry R&D Projects GA21-25486S GA ČR - Czech Science Foundation (CSF) Method of publishing Open access Institutional support UFCH-W - RVO:61388955 UT WOS 001030474400001 EID SCOPUS 85166425893 DOI 10.1021/acs.analchem.3c02173 Annotation Selected ion flow tube mass spectrometry (SIFT-MS) instruments have significantly developed since this technique was introduced more than 20 years ago. Most studies of the ion-molecule reaction kinetics that are essential for accurate analyses of trace gases and vapors in air and breath were conducted in He carrier gas at 300 K, while the new SIFT-MS instruments (optimized to quantify concentrations down to parts per trillion by volume) operate with N2 carrier gas at 393 K. Thus, we pose the question of how to reuse the data from the extensive body of previous literature using He at room temperature in the new instruments operating with N2 carrier gas at elevated temperatures. Experimentally, we found the product ions to be qualitatively similar, although there were differences in the branching ratios, and some reaction rate coefficients were lower in the heated N2 carrier gas. The differences in the reaction kinetics may be attributed to temperature, an electric field in the current flow tubes, and the change from He to N2 carrier gas. These results highlight the importance of adopting an updated reaction kinetics library that accounts for the new instruments’ specific conditions. In conclusion, almost all previous rate coefficients may be used after adjustment for higher temperatures, while some product ion branching ratios need to be updated. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2024 Electronic address https://hdl.handle.net/11104/0344602
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