Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds
Abstract
Here, benzene cluster cations were revisited as a sensitive and selective reagent ion for the chemical ionization of dimethyl sulfide (DMS) and a select group of volatile organic compounds (VOCs). Laboratory characterization was performed using both a new set of compounds (i.e., DMS, β-caryophyllene) as well as previously studied VOCs (i.e., isoprene, α-pinene). Using a field deployable chemical-ionization time-of-flight mass spectrometer (CI-ToFMS), benzene cluster cations demonstrated high sensitivity (> 1 ncps ppt−1) to DMS, isoprene, and α-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a much weaker electric field, demonstrated that ion–molecule reactions likely proceed through a combination of ligand-switching and direct charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (< 25 %) was observed for the detection of β-caryophyllene, a bicyclic sesquiterpene. The in-field stability of benzene cluster cations using CI-ToFMS was examined in the marine boundary layer during the High Wind Gas Exchange Study (HiWinGS). The use of benzene cluster cation chemistry for the selective detection of DMS was validated against an atmospheric pressure ionization mass spectrometer, where measurements from the two instruments were highly correlated (R2 > 0.95, 10 s averages)more »
- Authors:
- Publication Date:
- Research Org.:
- Univ. of California, San Diego, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Biological and Environmental Research (BER)
- OSTI Identifier:
- 1245498
- Alternate Identifier(s):
- OSTI ID: 1258741
- Grant/Contract Number:
- SC0006431
- Resource Type:
- Published Article
- Journal Name:
- Atmospheric Measurement Techniques (Online)
- Additional Journal Information:
- Journal Name: Atmospheric Measurement Techniques (Online) Journal Volume: 9 Journal Issue: 4; Journal ID: ISSN 1867-8548
- Publisher:
- Copernicus Publications, EGU
- Country of Publication:
- Germany
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Kim, Michelle J., Zoerb, Matthew C., Campbell, Nicole R., Zimmermann, Kathryn J., Blomquist, Byron W., Huebert, Barry J., and Bertram, Timothy H. Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds. Germany: N. p., 2016.
Web. doi:10.5194/amt-9-1473-2016.
Kim, Michelle J., Zoerb, Matthew C., Campbell, Nicole R., Zimmermann, Kathryn J., Blomquist, Byron W., Huebert, Barry J., & Bertram, Timothy H. Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds. Germany. https://doi.org/10.5194/amt-9-1473-2016
Kim, Michelle J., Zoerb, Matthew C., Campbell, Nicole R., Zimmermann, Kathryn J., Blomquist, Byron W., Huebert, Barry J., and Bertram, Timothy H. Fri .
"Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds". Germany. https://doi.org/10.5194/amt-9-1473-2016.
@article{osti_1245498,
title = {Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds},
author = {Kim, Michelle J. and Zoerb, Matthew C. and Campbell, Nicole R. and Zimmermann, Kathryn J. and Blomquist, Byron W. and Huebert, Barry J. and Bertram, Timothy H.},
abstractNote = {Here, benzene cluster cations were revisited as a sensitive and selective reagent ion for the chemical ionization of dimethyl sulfide (DMS) and a select group of volatile organic compounds (VOCs). Laboratory characterization was performed using both a new set of compounds (i.e., DMS, β-caryophyllene) as well as previously studied VOCs (i.e., isoprene, α-pinene). Using a field deployable chemical-ionization time-of-flight mass spectrometer (CI-ToFMS), benzene cluster cations demonstrated high sensitivity (> 1 ncps ppt−1) to DMS, isoprene, and α-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a much weaker electric field, demonstrated that ion–molecule reactions likely proceed through a combination of ligand-switching and direct charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (< 25 %) was observed for the detection of β-caryophyllene, a bicyclic sesquiterpene. The in-field stability of benzene cluster cations using CI-ToFMS was examined in the marine boundary layer during the High Wind Gas Exchange Study (HiWinGS). The use of benzene cluster cation chemistry for the selective detection of DMS was validated against an atmospheric pressure ionization mass spectrometer, where measurements from the two instruments were highly correlated (R2 > 0.95, 10 s averages) over a wide range of sampling conditions.},
doi = {10.5194/amt-9-1473-2016},
journal = {Atmospheric Measurement Techniques (Online)},
number = 4,
volume = 9,
place = {Germany},
year = {Fri Jan 01 00:00:00 EST 2016},
month = {Fri Jan 01 00:00:00 EST 2016}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.5194/amt-9-1473-2016
https://doi.org/10.5194/amt-9-1473-2016
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 15 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Evaluation of the global oceanic isoprene source and its impacts on marine organic carbon aerosol
journal, January 2009
- Arnold, S. R.; Spracklen, D. V.; Williams, J.
- Atmospheric Chemistry and Physics, Vol. 9, Issue 4
Measurement of trace atmospheric species by chemical ionization mass spectrometry: Speciation of reactive nitrogen and future directions
journal, January 2007
- Huey, L. Gregory
- Mass Spectrometry Reviews, Vol. 26, Issue 2
High‐resolution photoionization spectrum of water molecules in a supersonic beam
journal, February 1988
- Page, Ralph H.; Larkin, Robert J.; Shen, Y. R.
- The Journal of Chemical Physics, Vol. 88, Issue 4
Chlorine activation by N 2 O 5 : simultaneous, in situ detection of ClNO 2 and N 2 O 5 by chemical ionization mass spectrometry
journal, January 2009
- Kercher, J. P.; Riedel, T. P.; Thornton, J. A.
- Atmospheric Measurement Techniques, Vol. 2, Issue 1
Fast airborne sulfur dioxide measurements by Atmospheric Pressure Ionization Mass Spectrometry (APIMS)
journal, January 2002
- Thornton, Donald C.
- Journal of Geophysical Research, Vol. 107, Issue D22
Magnetic ZEKE experiments with mass analysis
journal, November 1993
- Nemeth, G. I.; Selzle, H. L.; Schlag, E. W.
- Chemical Physics Letters, Vol. 215, Issue 1-3
Known and Unexplored Organic Constituents in the Earth's Atmosphere
journal, March 2007
- Goldstein, Allen H.; Galbally, Ian E.
- Environmental Science & Technology, Vol. 41, Issue 5
Measurements of benzene and toluene in ambient air using proton-transfer-reaction mass spectrometry: calibration, humidity dependence, and field intercomparison
journal, May 2001
- Warneke, C.; van der Veen, C.; Luxembourg, S.
- International Journal of Mass Spectrometry, Vol. 207, Issue 3
851. Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials
journal, January 1964
- Al-Joboury, M. I.; Turner, D. W.
- Journal of the Chemical Society (Resumed)
Benzene charge exchange at atmospheric pressure for low-level detection of pollutants in ambient air
journal, January 1991
- Ketkar, S. N.; Dulak, J. G.; Dheandhanoo, S.
- Analytica Chimica Acta, Vol. 245
Global Modeling of the Oceanic Source of Organic Aerosols
journal, January 2010
- Myriokefalitakis, Stelios; Vignati, Elisabetta; Tsigaridis, Kostas
- Advances in Meteorology, Vol. 2010
Characterizing a Quantum Cascade Tunable Infrared Laser Differential Absorption Spectrometer (QC-TILDAS) for measurements of atmospheric ammonia
journal, January 2010
- Ellis, R. A.; Murphy, J. G.; Pattey, E.
- Atmospheric Measurement Techniques, Vol. 3, Issue 2
The Model of Emissions of Gases and Aerosols from Nature version 2.1 (MEGAN2.1): an extended and updated framework for modeling biogenic emissions
journal, January 2012
- Guenther, A. B.; Jiang, X.; Heald, C. L.
- Geoscientific Model Development, Vol. 5, Issue 6
Determining the sea-air flux of dimethylsulfide by eddy correlation using mass spectrometry
journal, January 2010
- Blomquist, B. W.; Huebert, B. J.; Fairall, C. W.
- Atmospheric Measurement Techniques, Vol. 3, Issue 1
Analytical techniques for sesquiterpene emission rate studies in vegetation enclosure experiments
journal, February 2004
- Helmig, Detlev; Bocquet, Florence; Pollmann, Jan
- Atmospheric Environment, Vol. 38, Issue 4
Ion–Molecule Reactions in Pure Nitrogen and Nitrogen Containing Traces of Water at Total Pressures 0.5–4 torr. Kinetics of Clustering Reactions Forming H + (H 2 O) n
journal, January 1970
- Good, A.; Durden, D. A.; Kebarle, P.
- The Journal of Chemical Physics, Vol. 52, Issue 1
PTR-MS analysis of reference and plant-emitted volatile organic compounds
journal, May 2007
- Maleknia, Simin D.; Bell, Tina L.; Adams, Mark A.
- International Journal of Mass Spectrometry, Vol. 262, Issue 3
Air-sea exchange of methanol and acetone during HiWinGS: Estimation of air phase, water phase gas transfer velocities
journal, October 2014
- Yang, Mingxi; Blomquist, Byron W.; Nightingale, Philip D.
- Journal of Geophysical Research: Oceans, Vol. 119, Issue 10
Determination of the vertical flux of dimethyl sulfide by eddy correlation and atmospheric pressure ionization mass spectrometry (APIMS)
journal, January 2002
- Bandy, Alan R.
- Journal of Geophysical Research, Vol. 107, Issue D24
Assignments of Rydberg and valence transitions in the electronic absorption spectrum of dimethyl sulfide
journal, July 1974
- McDiarmid, Ruth
- The Journal of Chemical Physics, Vol. 61, Issue 1
Rotationally resolved photoionization of H 2 O
journal, November 1991
- Tonkyn, Russell G.; Wiedmann, Ralph; Grant, Edward R.
- The Journal of Chemical Physics, Vol. 95, Issue 10
New picogram detection system based on a mass spectrometer with an external ionization source at atmospheric pressure
journal, May 1973
- Horning, E. C.; Horning, M. G.; Carroll, D. I.
- Analytical Chemistry, Vol. 45, Issue 6
Measurement of atmospheric sesquiterpenes by proton transfer reaction-mass spectrometry (PTR-MS)
journal, January 2009
- Kim, S.; Karl, T.; Helmig, D.
- Atmospheric Measurement Techniques, Vol. 2, Issue 1
A field-deployable, chemical ionization time-of-flight mass spectrometer
journal, January 2011
- Bertram, T. H.; Kimmel, J. R.; Crisp, T. A.
- Atmospheric Measurement Techniques, Vol. 4, Issue 7
On-line monitoring of volatile organic compounds at pptv levels by means of proton-transfer-reaction mass spectrometry (PTR-MS) medical applications, food control and environmental research
journal, February 1998
- Lindinger, W.; Hansel, A.; Jordan, A.
- International Journal of Mass Spectrometry and Ion Processes, Vol. 173, Issue 3
Ion chemistry for the detection of isoprene and other volatile organic compounds in ambient air
journal, June 2000
- Leibrock, Edeltraud; Huey, L. Gregory
- Geophysical Research Letters, Vol. 27, Issue 12
Infrared Spectroscopy of Size-Selected Benzene−Water Cluster Cations [C 6 H 6 −(H 2 O) n ] + ( n = 1−23): Hydrogen Bond Network Evolution and Microscopic Hydrophobicity
journal, December 2004
- Miyazaki, Mitsuhiko; Fujii, Asuka; Ebata, Takayuki
- The Journal of Physical Chemistry A, Vol. 108, Issue 48
Dissociation energies of the benzene dimer and dimer cation
journal, June 1987
- Grover, J. R.; Walters, E. A.; Hui, E. T.
- The Journal of Physical Chemistry, Vol. 91, Issue 12
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update
journal, May 1998
- Hunter, Edward P. L.; Lias, Sharon G.
- Journal of Physical and Chemical Reference Data, Vol. 27, Issue 3
Stepwise Hydration of Ionized Aromatics. Energies, Structures of the Hydrated Benzene Cation, and the Mechanism of Deprotonation Reactions
journal, May 2005
- Ibrahim, Yehia M.; Meot-Ner, Michael; Alshraeh, Edreese H.
- Journal of the American Chemical Society, Vol. 127, Issue 19
Secondary organic aerosol formation from the oxidation of a series of sesquiterpenes: α-cedrene, β-caryophyllene, α-humulene and α-farnesene with O3, OH and NO3 radicals
journal, January 2013
- Jaoui, Mohammed; Kleindienst, Tadeusz E.; Docherty, Kenneth S.
- Environmental Chemistry, Vol. 10, Issue 3
Organic aerosol and global climate modelling: a review
journal, January 2005
- Kanakidou, M.; Seinfeld, J. H.; Pandis, S. N.
- Atmospheric Chemistry and Physics, Vol. 5, Issue 4