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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

[Image: see text] 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 b...

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Autores principales: Swift, Stefan J., Španěl, Patrik, Sixtová, Nikola, Demarais, Nicholas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10372871/
https://www.ncbi.nlm.nih.gov/pubmed/37454354
http://dx.doi.org/10.1021/acs.analchem.3c02173
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author Swift, Stefan J.
Španěl, Patrik
Sixtová, Nikola
Demarais, Nicholas
author_facet Swift, Stefan J.
Španěl, Patrik
Sixtová, Nikola
Demarais, Nicholas
author_sort Swift, Stefan J.
collection PubMed
description [Image: see text] 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 N(2) 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 N(2) 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 N(2) 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 N(2) 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.
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spelling pubmed-103728712023-07-28 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 Swift, Stefan J. Španěl, Patrik Sixtová, Nikola Demarais, Nicholas Anal Chem [Image: see text] 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 N(2) 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 N(2) 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 N(2) 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 N(2) 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. American Chemical Society 2023-07-16 /pmc/articles/PMC10372871/ /pubmed/37454354 http://dx.doi.org/10.1021/acs.analchem.3c02173 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Swift, Stefan J.
Španěl, Patrik
Sixtová, Nikola
Demarais, Nicholas
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
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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10372871/
https://www.ncbi.nlm.nih.gov/pubmed/37454354
http://dx.doi.org/10.1021/acs.analchem.3c02173
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