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  • P-ISSN 2233-4203
  • E-ISSN 2093-8950

Li+ and Li+I−Li+ ions Solvated by 1,4-dioxane: An ion Mobility Spectrometry-Mass Spectrometry Study

Mass Spectrometry Letters / Mass Spectrometry Letters, (P)2233-4203; (E)2093-8950
2021, v.12 no.4, pp.152-158
Choi Yunseop (Pohang University of Science and Technology (POSTECH))
Ji Inyong (Pohang University of Science and Technology (POSTECH))
Seo Jongcheol (Pohang University of Science and Technology (POSTECH))
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Electrospray ionization (ESI) and ion mobility spectrometry-mass spectrometry (IMS-MS) were employed to inves-tigate the solvated structures of ionic species in the lithium iodide electrolyte solution in the gas phase. The Li+I−Li+ triple ion and single standalone Li+ ions solvated by 1,4-dioxane were successfully generated and observed by ESI-MS under the influence of dioxane vapor at the inlet region. Under the present experimental condition, (1,4-dioxane) m ·Li + complex ions (m = 1, 2, and 3) and a (1,4-dioxane)·Li + I − Li + complex ion were observed, which were further examined by IMS to investigate their structures. The presence of multiple structural isomers was confirmed, which accounts for the endothermic conformational transition of 1,4-dioxane from a chair to a boat to achieve bidentate O-donor binding to Li+ and Li+I−Li+. Further structural details critical for the ion-solvent interactions were also examined and discussed with the help of density functional theory calculations.

triple ion, ion solvation, lithium electrolyte, ion mobility spectrometry

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