Dissociative electron attachment to the volatile anaesthetics enflurane and isoflurane and the chlorinated ethanes pentachloroethane and hexachloroethane

C. Matias, A. Mauracher, S. E. Huber, S. Denifl, P. Limão-Vieira, P. Scheier, T. D. Märk, R. González-Méndez, C. A. Mayhew

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Negative ion formation through dissociative electron attachment to the gas-phase volatile anaesthetics enflurane and isoflurane (C3H2ClF5O) and to two chlorinated ethanes, pentachloroethane (C2HCl5) and hexachloroethane (C2Cl6), have been studied in a crossed electron-molecular beam two sector field mass spectrometer experiment. Anion efficiency curves for the negatively charged fragments have been measured over an electron energy range of approximately 0-17 eV, with an energy resolution of ∼1 eV. For the chlorinated ethanes, resonance features were generally found at ∼0 eV and at 7.5 eV. For the volatile anaesthetics, no zero energy resonances were observed. Instead, product anions were detected mainly in the 2-3 eV and 9 eV energy regions, with the exception of Cl-, whose dominant resonance occurs at approximately 0.6 eV and 0.9 eV for isoflurane and enflurane, respectively. To aid in the interpretation of the experimental results, quantum chemical calculations providing thermochemical thresholds of anion formation are also presented.

Original languageEnglish
Pages (from-to)179-186
Number of pages8
JournalInternational Journal of Mass Spectrometry
Volume379
DOIs
Publication statusPublished - 15 Mar 2015

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anesthetics
Enflurane
Anesthetics
Ethane
Isoflurane
electron attachment
ethane
Anions
Negative ions
anions
Electrons
Molecular beams
Mass spectrometers
negative ions
molecular beams
mass spectrometers
energy
sectors
Gases
fragments

Keywords

  • Chlorinated ethane
  • Dissociative electron attachment
  • Enflurane
  • Hexachloroethane
  • Isoflurane
  • Pentachloroethane

Cite this

Matias, C. ; Mauracher, A. ; Huber, S. E. ; Denifl, S. ; Limão-Vieira, P. ; Scheier, P. ; Märk, T. D. ; González-Méndez, R. ; Mayhew, C. A. / Dissociative electron attachment to the volatile anaesthetics enflurane and isoflurane and the chlorinated ethanes pentachloroethane and hexachloroethane. In: International Journal of Mass Spectrometry. 2015 ; Vol. 379. pp. 179-186.
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title = "Dissociative electron attachment to the volatile anaesthetics enflurane and isoflurane and the chlorinated ethanes pentachloroethane and hexachloroethane",
abstract = "Negative ion formation through dissociative electron attachment to the gas-phase volatile anaesthetics enflurane and isoflurane (C3H2ClF5O) and to two chlorinated ethanes, pentachloroethane (C2HCl5) and hexachloroethane (C2Cl6), have been studied in a crossed electron-molecular beam two sector field mass spectrometer experiment. Anion efficiency curves for the negatively charged fragments have been measured over an electron energy range of approximately 0-17 eV, with an energy resolution of ∼1 eV. For the chlorinated ethanes, resonance features were generally found at ∼0 eV and at 7.5 eV. For the volatile anaesthetics, no zero energy resonances were observed. Instead, product anions were detected mainly in the 2-3 eV and 9 eV energy regions, with the exception of Cl-, whose dominant resonance occurs at approximately 0.6 eV and 0.9 eV for isoflurane and enflurane, respectively. To aid in the interpretation of the experimental results, quantum chemical calculations providing thermochemical thresholds of anion formation are also presented.",
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author = "C. Matias and A. Mauracher and Huber, {S. E.} and S. Denifl and P. Lim{\~a}o-Vieira and P. Scheier and M{\"a}rk, {T. D.} and R. Gonz{\'a}lez-M{\'e}ndez and Mayhew, {C. A.}",
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Dissociative electron attachment to the volatile anaesthetics enflurane and isoflurane and the chlorinated ethanes pentachloroethane and hexachloroethane. / Matias, C.; Mauracher, A.; Huber, S. E.; Denifl, S.; Limão-Vieira, P.; Scheier, P.; Märk, T. D.; González-Méndez, R.; Mayhew, C. A.

In: International Journal of Mass Spectrometry, Vol. 379, 15.03.2015, p. 179-186.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Dissociative electron attachment to the volatile anaesthetics enflurane and isoflurane and the chlorinated ethanes pentachloroethane and hexachloroethane

AU - Matias, C.

AU - Mauracher, A.

AU - Huber, S. E.

AU - Denifl, S.

AU - Limão-Vieira, P.

AU - Scheier, P.

AU - Märk, T. D.

AU - González-Méndez, R.

AU - Mayhew, C. A.

N1 - Sem PDF. The funding of the Early Stage Researcher (RGM) was supported through the PIMMS Initial Training Network which in turn is supported by the European Commission's 7th Framework Programme under Grant Agreement Number 287382. This work was supported by the Austrian Ministry of Science BMWF as part of the UniInfrastrukturprogramm of the Focal Point Scientific Computing at the University of Innsbruck. AM acknowledges a grant from the Nachwuchsforderung of the University of Innsbruck. SEH gratefully acknowledges funding from the Austrian Science Fund (FWF) DK+ project Computational Interdisciplinary Modeling, W1227-N16. PLV acknowledges the Portuguese Foundation for Science and Technology (FCT-MEC) for partial funding from the research grants PTDC/FIS-ATO/1832/2012 and PEst-OE/FIS/UI0068/2014.

PY - 2015/3/15

Y1 - 2015/3/15

N2 - Negative ion formation through dissociative electron attachment to the gas-phase volatile anaesthetics enflurane and isoflurane (C3H2ClF5O) and to two chlorinated ethanes, pentachloroethane (C2HCl5) and hexachloroethane (C2Cl6), have been studied in a crossed electron-molecular beam two sector field mass spectrometer experiment. Anion efficiency curves for the negatively charged fragments have been measured over an electron energy range of approximately 0-17 eV, with an energy resolution of ∼1 eV. For the chlorinated ethanes, resonance features were generally found at ∼0 eV and at 7.5 eV. For the volatile anaesthetics, no zero energy resonances were observed. Instead, product anions were detected mainly in the 2-3 eV and 9 eV energy regions, with the exception of Cl-, whose dominant resonance occurs at approximately 0.6 eV and 0.9 eV for isoflurane and enflurane, respectively. To aid in the interpretation of the experimental results, quantum chemical calculations providing thermochemical thresholds of anion formation are also presented.

AB - Negative ion formation through dissociative electron attachment to the gas-phase volatile anaesthetics enflurane and isoflurane (C3H2ClF5O) and to two chlorinated ethanes, pentachloroethane (C2HCl5) and hexachloroethane (C2Cl6), have been studied in a crossed electron-molecular beam two sector field mass spectrometer experiment. Anion efficiency curves for the negatively charged fragments have been measured over an electron energy range of approximately 0-17 eV, with an energy resolution of ∼1 eV. For the chlorinated ethanes, resonance features were generally found at ∼0 eV and at 7.5 eV. For the volatile anaesthetics, no zero energy resonances were observed. Instead, product anions were detected mainly in the 2-3 eV and 9 eV energy regions, with the exception of Cl-, whose dominant resonance occurs at approximately 0.6 eV and 0.9 eV for isoflurane and enflurane, respectively. To aid in the interpretation of the experimental results, quantum chemical calculations providing thermochemical thresholds of anion formation are also presented.

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KW - Dissociative electron attachment

KW - Enflurane

KW - Hexachloroethane

KW - Isoflurane

KW - Pentachloroethane

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