Ion mobility studies on the negative ion-molecule chemistry of pentachloroethane

Ramón González-Méndez, Peter Watts, David C. Howse, Immacolata Procino, Henry McIntyre, Chris A. Mayhew

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Abstract

In this study we present an investigation of the negative ion-molecule chemistry of pentachloroethane (PCE) in air based ion mobility spectrometry and ion mobility spectrometry–mass spectrometry systems. The observed product ions are Cl, produced by dissociative electron attachment, and Cl·HOO resulting from a reaction with O2 . Based upon the moisture content of the system, these ions can be observed as a doublet in a ‘dry’ system or as a singlet in a ‘wet’ system. The nature of the Cl·HOO product ion was investigated by using isoflurane (ISOF) as a probe to monitor the changing ratios of Cl and Cl·HOO as the PCE concentration decreased. This confirmed the origins of the two product anions. Electronic structure calculations are provided. These have aided the understanding of the reaction processes observed.

Publisher Statement: NOTICE: this is the author’s version of a work that was accepted for publication in International Journal of Mass Spectrometry. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in International Journal of Mass Spectrometry, [417, (2017)] DOI: 10.1016/j.ijms.2017.04.011

 

© 2017, Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/

Original languageEnglish
Pages (from-to)16-21
Number of pages6
JournalInternational Journal of Mass Spectrometry
Volume417
Early online date29 Apr 2017
DOIs
Publication statusPublished - 1 Jun 2017
Externally publishedYes

Fingerprint

negative ions
Negative ions
Ions
chemistry
Molecules
Spectrometry
molecules
ions
products
spectroscopy
editing
Isoflurane
electron attachment
quality control
moisture content
Electronic structure
Anions
Quality control
Mass spectrometry
Moisture

Bibliographical note

NOTICE: this is the author’s version of a work that was accepted for publication in International Journal of Mass Spectrometry. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in International Journal of Mass Spectrometry, [417, (2017)] DOI: 10.1016/j.ijms.2017.04.011

© 2017, Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/

Keywords

  • Chlorinated ethane
  • IMS–MS
  • Ion mobility spectrometry
  • Ion-molecule chemistry
  • Pentachloroethane

ASJC Scopus subject areas

  • Instrumentation
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry

Cite this

Ion mobility studies on the negative ion-molecule chemistry of pentachloroethane. / González-Méndez, Ramón; Watts, Peter; Howse, David C.; Procino, Immacolata; McIntyre, Henry; Mayhew, Chris A.

In: International Journal of Mass Spectrometry, Vol. 417, 01.06.2017, p. 16-21.

Research output: Contribution to journalArticle

González-Méndez, Ramón ; Watts, Peter ; Howse, David C. ; Procino, Immacolata ; McIntyre, Henry ; Mayhew, Chris A. / Ion mobility studies on the negative ion-molecule chemistry of pentachloroethane. In: International Journal of Mass Spectrometry. 2017 ; Vol. 417. pp. 16-21.
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N2 - In this study we present an investigation of the negative ion-molecule chemistry of pentachloroethane (PCE) in air based ion mobility spectrometry and ion mobility spectrometry–mass spectrometry systems. The observed product ions are Cl−, produced by dissociative electron attachment, and Cl−·HOO resulting from a reaction with O2 −. Based upon the moisture content of the system, these ions can be observed as a doublet in a ‘dry’ system or as a singlet in a ‘wet’ system. The nature of the Cl−·HOO product ion was investigated by using isoflurane (ISOF) as a probe to monitor the changing ratios of Cl− and Cl−·HOO as the PCE concentration decreased. This confirmed the origins of the two product anions. Electronic structure calculations are provided. These have aided the understanding of the reaction processes observed.Publisher Statement: NOTICE: this is the author’s version of a work that was accepted for publication in International Journal of Mass Spectrometry. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in International Journal of Mass Spectrometry, [417, (2017)] DOI: 10.1016/j.ijms.2017.04.011   © 2017, Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/

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