Details
| Original language | English |
|---|---|
| Article number | 181 |
| Number of pages | 18 |
| Journal | European Physical Journal D |
| Volume | 76 |
| Issue number | 10 |
| Early online date | 7 Oct 2022 |
| Publication status | Published - Oct 2022 |
Abstract
The first High Kinetic Energy-Ion Mobility Spectrometry-Mass Spectrometry (HiKE-IMS-MS) studies involving six volatiles (acetone, acetonitrile, methanol, ethanol, 2-propanol, and 1-butanol) and their fully deuterated analogues are reported. The goal is to further our understanding of the ion–molecule chemistry occurring in the HiKE-IMS. This is needed for its full analytical potential to be reached. Product ions are identified as a function of the reduced electric field (30–115 Td) and the influence of sample air humidity in the reaction region on deuterium/hydrogen (D/H) exchange reactions is discussed. Reagent ions include H3O+(H2O)m (n = 0, 1, 2 or 3), NO+(H2O)n (m = 0 or 1) and O2+·. Reactions with H3O+(H2O)m lead to protonated monomers (through either proton transfer or ligand switching). Reactions with NO+ involve association with acetone and acetonitrile, hydride anion abstraction from ethanol, 2-propanol, and 1-butanol, and hydroxide abstraction from 2-propanol and 1-butanol. With the exception of acetonitrile, O2+· predominantly reacts with the volatiles via dissociative charge transfer. A number of sequential secondary ion-volatile processes occur leading to the formation of dimer and trimer-containing ion species, whose intensities depend on a volatile’s concentration and the reduced electric field in the reaction region. Deuterium/hydrogen (D/H) exchange does not occur for product ions from acetone-d6 and acetonitrile-d3, owing to their inert methyl functional groups. For the deuterated alcohols, rapid D/H-exchange reaction at the hydroxy group is observed, the amount of which increased with the increasing humidity of the sample air and/or lowering of the reduced electric field. Graphical abstract: [Figure not available: see fulltext.].
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Atomic and Molecular Physics, and Optics
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In: European Physical Journal D, Vol. 76, No. 10, 181, 10.2022.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - High kinetic energy-ion mobility spectrometry-mass spectrometry investigations of several volatiles and their fully deuterated analogues
AU - Weiss, Florentin
AU - Eiceman, Gary
AU - Märk, Tilmann D.
AU - Mayhew, Chris A.
AU - Ruzsanyi, Veronika
AU - Schaefer, Christoph
AU - Zimmermann, Stefan
N1 - Funding Information: We wish to acknowledge the Austrian Research Promotion Agency (FFG) for the support of this study through the program KIRAS Security Research under the grant TRACK (grant agreement no. 24146100), and in particular for the funding of Florentin Weiss’s PhD programme and his exchange visit to Hannover in order to undertake the measurements presented in this paper. Furthermore, Hannover acknowledges the additional financial support of this project from the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) (318063177 and 390583968).
PY - 2022/10
Y1 - 2022/10
N2 - The first High Kinetic Energy-Ion Mobility Spectrometry-Mass Spectrometry (HiKE-IMS-MS) studies involving six volatiles (acetone, acetonitrile, methanol, ethanol, 2-propanol, and 1-butanol) and their fully deuterated analogues are reported. The goal is to further our understanding of the ion–molecule chemistry occurring in the HiKE-IMS. This is needed for its full analytical potential to be reached. Product ions are identified as a function of the reduced electric field (30–115 Td) and the influence of sample air humidity in the reaction region on deuterium/hydrogen (D/H) exchange reactions is discussed. Reagent ions include H3O+(H2O)m (n = 0, 1, 2 or 3), NO+(H2O)n (m = 0 or 1) and O2+·. Reactions with H3O+(H2O)m lead to protonated monomers (through either proton transfer or ligand switching). Reactions with NO+ involve association with acetone and acetonitrile, hydride anion abstraction from ethanol, 2-propanol, and 1-butanol, and hydroxide abstraction from 2-propanol and 1-butanol. With the exception of acetonitrile, O2+· predominantly reacts with the volatiles via dissociative charge transfer. A number of sequential secondary ion-volatile processes occur leading to the formation of dimer and trimer-containing ion species, whose intensities depend on a volatile’s concentration and the reduced electric field in the reaction region. Deuterium/hydrogen (D/H) exchange does not occur for product ions from acetone-d6 and acetonitrile-d3, owing to their inert methyl functional groups. For the deuterated alcohols, rapid D/H-exchange reaction at the hydroxy group is observed, the amount of which increased with the increasing humidity of the sample air and/or lowering of the reduced electric field. Graphical abstract: [Figure not available: see fulltext.].
AB - The first High Kinetic Energy-Ion Mobility Spectrometry-Mass Spectrometry (HiKE-IMS-MS) studies involving six volatiles (acetone, acetonitrile, methanol, ethanol, 2-propanol, and 1-butanol) and their fully deuterated analogues are reported. The goal is to further our understanding of the ion–molecule chemistry occurring in the HiKE-IMS. This is needed for its full analytical potential to be reached. Product ions are identified as a function of the reduced electric field (30–115 Td) and the influence of sample air humidity in the reaction region on deuterium/hydrogen (D/H) exchange reactions is discussed. Reagent ions include H3O+(H2O)m (n = 0, 1, 2 or 3), NO+(H2O)n (m = 0 or 1) and O2+·. Reactions with H3O+(H2O)m lead to protonated monomers (through either proton transfer or ligand switching). Reactions with NO+ involve association with acetone and acetonitrile, hydride anion abstraction from ethanol, 2-propanol, and 1-butanol, and hydroxide abstraction from 2-propanol and 1-butanol. With the exception of acetonitrile, O2+· predominantly reacts with the volatiles via dissociative charge transfer. A number of sequential secondary ion-volatile processes occur leading to the formation of dimer and trimer-containing ion species, whose intensities depend on a volatile’s concentration and the reduced electric field in the reaction region. Deuterium/hydrogen (D/H) exchange does not occur for product ions from acetone-d6 and acetonitrile-d3, owing to their inert methyl functional groups. For the deuterated alcohols, rapid D/H-exchange reaction at the hydroxy group is observed, the amount of which increased with the increasing humidity of the sample air and/or lowering of the reduced electric field. Graphical abstract: [Figure not available: see fulltext.].
UR - http://www.scopus.com/inward/record.url?scp=85139481370&partnerID=8YFLogxK
U2 - 10.1140/epjd/s10053-022-00501-8
DO - 10.1140/epjd/s10053-022-00501-8
M3 - Article
AN - SCOPUS:85139481370
VL - 76
JO - European Physical Journal D
JF - European Physical Journal D
SN - 1434-6060
IS - 10
M1 - 181
ER -