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Negative Atmospheric Pressure Chemical Ionization of Chlorinated Hydrocarbons Studied by Ion Mobility Spectrometry (IMS) and IMS-MS Techniques

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dc.contributor.authorMoravský, L.
dc.contributor.authorBorkhari, A. F.
dc.contributor.authorAdamov, A. Y.
dc.contributor.authorSysoev, A. A.
dc.contributor.authorPapp, P.
dc.contributor.authorMatejčík, Š.
dc.contributor.authorАдамов, Алексей Юрьевич
dc.contributor.authorСысоев, Алексей Александрович
dc.date.accessioned2024-12-25T16:43:20Z
dc.date.available2024-12-25T16:43:20Z
dc.date.issued2022
dc.description.abstractNegative polarity atmospheric pressure chemical ionization of selected chlorinated hydrocarbons (tetrachloromethane CCl4and hexachloroethane C2Cl6, dichloromethane CH2Cl2, trichloromethane CHCl3, 1,1,1,2-tetrachloroethane 1,1,1,2-C2H2Cl4, 1,1,2,2-tetrachloroethane 1,1,2,2,-C2H2Cl41,1,2-trichloroethane 1,1,2-C2H3Cl3, and 1,1,2-trichloroethane 1,1,2-C2HCl3) was studied using ion mobility spectrometry (IMS) and IMS combined with time-of-flight mass spectrometer (IMS-TOF MS) techniques, in the dry air and at two different drift gas temperatures (323 and 373 K). The ionization was performed using the O2-CO2(H2O)0,1reactant ions (RIs), and the dominant ionization reaction was the dissociative electron transfer. The ionization resulted in the appearance of Cl-ions for all substances and [O2H..Cl]-ions, which were absent in the case of perchlorinated substances. The quantum-chemical calculations at the density functional theory level of theory using the ωB97X-D/aug-cc-pVTZ method were performed to calculate the thermochemical data (heats of formations, electron affinities, reaction enthalpies) for RIs, neutral substances, neutral fragments, and the anionic fragments. The calculations supported the experimental observations regarding the endothermicity of the Cl-channel for all substances and the exothermicity of the [O2H..Cl]-channel for the tetrachloro- and trichloroethanes. © 2022 Springer New York LLC. All rights reserved.
dc.format.extentС. 1569-1576
dc.identifier.citationNegative Atmospheric Pressure Chemical Ionization of Chlorinated Hydrocarbons Studied by Ion Mobility Spectrometry (IMS) and IMS-MS Techniques / Moravský, L. [et al.] // Journal of the American Society for Mass Spectrometry. - 2022. - 33. - № 8. - P. 1569-1576. - 10.1021/jasms.2c00139
dc.identifier.doi10.1021/jasms.2c00139
dc.identifier.urihttps://www.doi.org/10.1021/jasms.2c00139
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85135596880&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000885758600001
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/28207
dc.relation.ispartofJournal of the American Society for Mass Spectrometry
dc.titleNegative Atmospheric Pressure Chemical Ionization of Chlorinated Hydrocarbons Studied by Ion Mobility Spectrometry (IMS) and IMS-MS Techniques
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue8
oaire.citation.volume33
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relation.isAuthorOfPublicationa1a7999c-5799-4de0-a62d-06bb138464d2
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