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

• DOI: 10.1021/jasms.2c00139
• Publication Date: 2022-07-21T13:12:32Z
• Authors: Ladislav Moravský; Arian Fateh Borkhari; Alexey Yu. Adamov; Alexey A. Sysoev; Peter Papp; Štefan Matejčík
• Keywords: Atmospheric-pressure chemical ionization; Dichloromethane; Ion-mobility spectrometry; Ambient ionization

Negative polarity atmospheric pressure chemical ionization of selected chlorinated hydrocarbons (tetrachloromethane CCl4 and 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,-C2H2Cl4 1,1,2-trichloroethane 1,1,2-C2H3Cl3, 1,1,2-C2HCl3) was studied using ion mobility spectrometry (IMS) IMS combined with time-of-flight mass spectrometer (IMS-TOF MS) techniques, in the dry air at two different drift gas temperatures (323 373 K). The performed O2-CO2(H2O)0,1 reactant ions (RIs), dominant reaction dissociative electron transfer. resulted appearance Cl- for all substances [O2H..Cl]- ions, which were absent case perchlorinated substances. quantum-chemical calculations density functional theory level ωB97X-D/aug-cc-pVTZ method to calculate thermochemical data (heats formations, affinities, enthalpies) RIs, neutral substances, fragments, anionic fragments. supported experimental observations regarding endothermicity channel exothermicity tetrachloro- trichloroethanes.