Investigation of ion cluster formation in a pulsed ion mobility spectrometer operating in the negative mode

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OriginalspracheEnglisch
Seiten (von - bis)467-473
Seitenumfang7
FachzeitschriftSensors and Actuators, B: Chemical
Jahrgang204
PublikationsstatusVeröffentlicht - 10 Aug. 2014

Abstract

Ion mobility spectrometry (IMS) is a well-known technique for fast trace gases detection. Employing atmospheric pressure chemical ionization in IMS, ion clusters, e.g. protonated monomer or proton bound dimer analyte ions such as MH+(H2O)n or M2H+(H 2O)n form in the positive mode, where the chemical ionization is based on positively charged reactant ions H+(H 2O)n. In the negative mode, where the ionization is based on negatively charged reactant ions O2-(H 2O)n, similar cluster formation is possible but less common. In this paper, we investigate 2-chlorophenol, formic acid and toluene-diisocyanate as single substances and in mixtures, showing their different behavior regarding the formation of symmetric and asymmetric clusters and thus the presence and absence of additional peaks in the ion mobility spectra. Quantum-chemical calculations regarding the stabilization energy can explain the absence of certain cluster signals quite well when based on the assumption of ionization by electron capture in contrast to the typically expected ionization by proton abstraction.

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Investigation of ion cluster formation in a pulsed ion mobility spectrometer operating in the negative mode. / Gunzer, Frank; Zimmermann, Stefan.
in: Sensors and Actuators, B: Chemical, Jahrgang 204, 10.08.2014, S. 467-473.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

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abstract = "Ion mobility spectrometry (IMS) is a well-known technique for fast trace gases detection. Employing atmospheric pressure chemical ionization in IMS, ion clusters, e.g. protonated monomer or proton bound dimer analyte ions such as MH+(H2O)n or M2H+(H 2O)n form in the positive mode, where the chemical ionization is based on positively charged reactant ions H+(H 2O)n. In the negative mode, where the ionization is based on negatively charged reactant ions O2-(H 2O)n, similar cluster formation is possible but less common. In this paper, we investigate 2-chlorophenol, formic acid and toluene-diisocyanate as single substances and in mixtures, showing their different behavior regarding the formation of symmetric and asymmetric clusters and thus the presence and absence of additional peaks in the ion mobility spectra. Quantum-chemical calculations regarding the stabilization energy can explain the absence of certain cluster signals quite well when based on the assumption of ionization by electron capture in contrast to the typically expected ionization by proton abstraction.",
keywords = "Cluster stabilization energy, Ion cluster formation, Ion mobility spectrometry, Negative mode, Pulsed electron beams, Quantum chemical calculation",
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T1 - Investigation of ion cluster formation in a pulsed ion mobility spectrometer operating in the negative mode

AU - Gunzer, Frank

AU - Zimmermann, Stefan

N1 - Copyright: Copyright 2014 Elsevier B.V., All rights reserved.

PY - 2014/8/10

Y1 - 2014/8/10

N2 - Ion mobility spectrometry (IMS) is a well-known technique for fast trace gases detection. Employing atmospheric pressure chemical ionization in IMS, ion clusters, e.g. protonated monomer or proton bound dimer analyte ions such as MH+(H2O)n or M2H+(H 2O)n form in the positive mode, where the chemical ionization is based on positively charged reactant ions H+(H 2O)n. In the negative mode, where the ionization is based on negatively charged reactant ions O2-(H 2O)n, similar cluster formation is possible but less common. In this paper, we investigate 2-chlorophenol, formic acid and toluene-diisocyanate as single substances and in mixtures, showing their different behavior regarding the formation of symmetric and asymmetric clusters and thus the presence and absence of additional peaks in the ion mobility spectra. Quantum-chemical calculations regarding the stabilization energy can explain the absence of certain cluster signals quite well when based on the assumption of ionization by electron capture in contrast to the typically expected ionization by proton abstraction.

AB - Ion mobility spectrometry (IMS) is a well-known technique for fast trace gases detection. Employing atmospheric pressure chemical ionization in IMS, ion clusters, e.g. protonated monomer or proton bound dimer analyte ions such as MH+(H2O)n or M2H+(H 2O)n form in the positive mode, where the chemical ionization is based on positively charged reactant ions H+(H 2O)n. In the negative mode, where the ionization is based on negatively charged reactant ions O2-(H 2O)n, similar cluster formation is possible but less common. In this paper, we investigate 2-chlorophenol, formic acid and toluene-diisocyanate as single substances and in mixtures, showing their different behavior regarding the formation of symmetric and asymmetric clusters and thus the presence and absence of additional peaks in the ion mobility spectra. Quantum-chemical calculations regarding the stabilization energy can explain the absence of certain cluster signals quite well when based on the assumption of ionization by electron capture in contrast to the typically expected ionization by proton abstraction.

KW - Cluster stabilization energy

KW - Ion cluster formation

KW - Ion mobility spectrometry

KW - Negative mode

KW - Pulsed electron beams

KW - Quantum chemical calculation

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