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

doi:10.1016/j.ijms.2017.04.011

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

Research output: Contribution to journal › Article › peer-review

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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

Original language	English
Pages (from-to)	16-21
Number of pages	6
Journal	International Journal of Mass Spectrometry
Volume	417
Early online date	29 Apr 2017
DOIs	https://doi.org/10.1016/j.ijms.2017.04.011
Publication status	Published - 1 Jun 2017
Externally published	Yes

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

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10.1016/j.ijms.2017.04.011

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https://research.birmingham.ac.uk/portal/en/publications/ion-mobility-studies-on-the-negative-ionmolecule-chemistry-of-pentachloroethane(1a67e50f-b1cc-40c3-ad05-fce5408baeda).htmlLicence: CC BY-NC-ND

Cite this

@article{56b7d97ba68549c0bb2d20b3c78db310,

title = "Ion mobility studies on the negative ion-molecule chemistry of pentachloroethane",

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 {\textquoteleft}dry{\textquoteright} system or as a singlet in a {\textquoteleft}wet{\textquoteright} 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{\textquoteright}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 {\textcopyright} 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",

author = "Ram{\'o}n Gonz{\'a}lez-M{\'e}ndez and Peter Watts and Howse, {David C.} and Immacolata Procino and Henry McIntyre and Mayhew, {Chris A.}",

note = "NOTICE: this is the author{\textquoteright}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 {\textcopyright} 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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T1 - Ion mobility studies on the negative ion-molecule chemistry of pentachloroethane

AU - González-Méndez, Ramón

AU - Watts, Peter

AU - Howse, David C.

AU - Procino, Immacolata

AU - McIntyre, Henry

AU - Mayhew, Chris A.

N1 - 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/

PY - 2017/6/1

Y1 - 2017/6/1

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/

AB - 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/

KW - Chlorinated ethane

KW - IMS–MS

KW - Ion mobility spectrometry

KW - Ion-molecule chemistry

KW - Pentachloroethane

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U2 - 10.1016/j.ijms.2017.04.011

DO - 10.1016/j.ijms.2017.04.011

M3 - Article

AN - SCOPUS:85019020288

SN - 1387-3806

VL - 417

SP - 16

EP - 21

JO - International Journal of Mass Spectrometry

JF - International Journal of Mass Spectrometry

ER -

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

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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