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Flowing afterglow selected ion flow tube (FA-SIFT) study of ion/molecule reactions in support of the detection of biogenic alcohols by medium-pressure chemical ionization mass spectrometry techniques

Frederik Dhooghe UGent, Crist Amelynck, Juliette Rimetz-Planchon, Niels Schoon and Frank Vanhaecke UGent (2009) International Journal of Mass Spectrometry. 285(1-2). p.31-41
abstract
This article deals with the validation of and first measurements with a newly constructed flowing afterglow selected ion flow tube (FA-SIFT) instrument. All reactions were studied in He buffer gas at a pressure of 1.43 hPa and a temperature of 298 K. The validation consisted of the study of the gas-phase ion/molecule reactions of methanol and ethanol (M) with the reactant ions H3O+·(H2O)n (n = 0–3), MH+, M2H+, and MH+·H2O and the reactions of MH+ with H2O. Obtained results are compared with available literature data and with calculated collision rate constants. The validated FA-SIFT has subsequently been used to characterize the reactions of the unsaturated biogenic alcohols 2-methyl-3-buten-2-ol, 1-penten-3-ol, cis-3-hexen-1-ol and trans-2-hexen-1-ol (ROH) with H3O+·(H2O)n (n = 0–3) as well as the secondary reactions of the H3O+/ROH product ions with H2O (hydration) and ROH in view of their accurate quantification in ambient air samples with medium-pressure chemical ionization mass spectrometry (CIMS) instrumentation using H3O+ reactant ions. Whereas water elimination following proton transfer was found to be the main mechanism for all H3O+/ROH reactions studied and for the H3O+·H2O/trans-2-hexen-1-ol reaction, all other H3O+·(H2O)n/ROH (n = 1, 2) reactions proceeded by multiple reaction mechanisms. H3O+·(H2O)3 reactions proceeded mainly (C6 alcohols) or exclusively (C5 alcohols) by ligand switching followed by water elimination. Hydration of the H3O+/ROH product ions was observed whenever they contained oxygen. The secondary reactions with ROH were also found to proceed by multiple reaction pathways.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
CIMS, Biogenic alcohol, Ion/molecule reactions, FA-SIFT
journal title
International Journal of Mass Spectrometry
Int. J. Mass. Spectrom.
volume
285
issue
1-2
pages
31 - 41
Web of Science type
Article
Web of Science id
000268405100005
JCR category
SPECTROSCOPY
JCR impact factor
2.117 (2009)
JCR rank
15/39 (2009)
JCR quartile
2 (2009)
ISSN
1387-3806
DOI
10.1016/j.ijms.2009.04.001
language
English
UGent publication?
yes
classification
A1
id
740703
handle
http://hdl.handle.net/1854/LU-740703
date created
2009-09-03 18:30:57
date last changed
2009-09-08 11:04:51
@article{740703,
  abstract     = {This article deals with the validation of and first measurements with a newly constructed flowing afterglow selected ion flow tube (FA-SIFT) instrument. All reactions were studied in He buffer gas at a pressure of 1.43 hPa and a temperature of 298 K.

The validation consisted of the study of the gas-phase ion/molecule reactions of methanol and ethanol (M) with the reactant ions H3O+{\textperiodcentered}(H2O)n (n = 0--3), MH+, M2H+, and MH+{\textperiodcentered}H2O and the reactions of MH+ with H2O. Obtained results are compared with available literature data and with calculated collision rate constants.

The validated FA-SIFT has subsequently been used to characterize the reactions of the unsaturated biogenic alcohols 2-methyl-3-buten-2-ol, 1-penten-3-ol, cis-3-hexen-1-ol and trans-2-hexen-1-ol (ROH) with H3O+{\textperiodcentered}(H2O)n (n = 0--3) as well as the secondary reactions of the H3O+/ROH product ions with H2O (hydration) and ROH in view of their accurate quantification in ambient air samples with medium-pressure chemical ionization mass spectrometry (CIMS) instrumentation using H3O+ reactant ions.

Whereas water elimination following proton transfer was found to be the main mechanism for all H3O+/ROH reactions studied and for the H3O+{\textperiodcentered}H2O/trans-2-hexen-1-ol reaction, all other H3O+{\textperiodcentered}(H2O)n/ROH (n = 1, 2) reactions proceeded by multiple reaction mechanisms. H3O+{\textperiodcentered}(H2O)3 reactions proceeded mainly (C6 alcohols) or exclusively (C5 alcohols) by ligand switching followed by water elimination. Hydration of the H3O+/ROH product ions was observed whenever they contained oxygen. The secondary reactions with ROH were also found to proceed by multiple reaction pathways.},
  author       = {Dhooghe, Frederik and Amelynck, Crist and Rimetz-Planchon, Juliette and Schoon, Niels and Vanhaecke, Frank},
  issn         = {1387-3806},
  journal      = {International Journal of Mass Spectrometry},
  keyword      = {CIMS,Biogenic alcohol,Ion/molecule reactions,FA-SIFT},
  language     = {eng},
  number       = {1-2},
  pages        = {31--41},
  title        = {Flowing afterglow selected ion flow tube (FA-SIFT) study of ion/molecule reactions in support of the detection of biogenic alcohols by medium-pressure chemical ionization mass spectrometry techniques},
  url          = {http://dx.doi.org/10.1016/j.ijms.2009.04.001},
  volume       = {285},
  year         = {2009},
}

Chicago
Dhooghe, Frederik, Crist Amelynck, Juliette Rimetz-Planchon, Niels Schoon, and Frank Vanhaecke. 2009. “Flowing Afterglow Selected Ion Flow Tube (FA-SIFT) Study of Ion/molecule Reactions in Support of the Detection of Biogenic Alcohols by Medium-pressure Chemical Ionization Mass Spectrometry Techniques.” International Journal of Mass Spectrometry 285 (1-2): 31–41.
APA
Dhooghe, F., Amelynck, C., Rimetz-Planchon, J., Schoon, N., & Vanhaecke, F. (2009). Flowing afterglow selected ion flow tube (FA-SIFT) study of ion/molecule reactions in support of the detection of biogenic alcohols by medium-pressure chemical ionization mass spectrometry techniques. International Journal of Mass Spectrometry, 285(1-2), 31–41.
Vancouver
1.
Dhooghe F, Amelynck C, Rimetz-Planchon J, Schoon N, Vanhaecke F. Flowing afterglow selected ion flow tube (FA-SIFT) study of ion/molecule reactions in support of the detection of biogenic alcohols by medium-pressure chemical ionization mass spectrometry techniques. International Journal of Mass Spectrometry. 2009;285(1-2):31–41.
MLA
Dhooghe, Frederik, Crist Amelynck, Juliette Rimetz-Planchon, et al. “Flowing Afterglow Selected Ion Flow Tube (FA-SIFT) Study of Ion/molecule Reactions in Support of the Detection of Biogenic Alcohols by Medium-pressure Chemical Ionization Mass Spectrometry Techniques.” International Journal of Mass Spectrometry 285.1-2 (2009): 31–41. Print.