Preferential Ion Microsolvation in Mixed-Modifier Environments Observed Using Differential Mobility Spectrometry
- 16 September 2019
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Society for Mass Spectrometry
- Vol. 30 (11), 2222-2227
- https://doi.org/10.1007/s13361-019-02332-1
Abstract
The preferential solvation behavior for eight different derivatives of protonated quinoline was measured in a tandem differential mobility spectrometer mass spectrometer (DMS-MS). Ion-solvent cluster formation was induced in the DMS by the addition of chemical modifiers (i.e., solvent vapors) to the N2 buffer gas. To determine the effect of more than one modifier in the DMS environment, we performed DMS experiments with varying mixtures of water, acetonitrile, and isopropyl alcohol solvent vapors. The results show that doping the buffer gas with a binary mixture of modifiers leads to the ions binding preferentially to one modifier over another. We used density functional theory to calculate the ion-solvent binding energies, and in all cases, calculations show that the quinolinium ions bind most strongly with acetonitrile, then isopropyl alcohol, and most weakly with water. Computational results support the hypothesis that the quinolinium ions bind exclusively to whichever solvent they have the strongest interaction with, regardless of the presence of other modifier gases.Keywords
Funding Information
- Natural Sciences and Engineering Research Council of Canada (Discovery Grant, Vanier Scholarship)
- Ontario Centres of Excellence (VIP II)
- Province of Ontario (Ontario Early Researcher Award)
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