Abstract
Allyl-functionalized ionic liquids (ILs) have attracted increasing attention in electrochemistry. However, the hydrogen bonding properties of allyl-functionalized imidazolium-based ILs have not been studied. In this work, allyl-functionalized/non-functionalized ILs 1-allyl-3-methylimidazolium bis(trifluoromethyl)sulfonyl imide (AMIMTFSI) /1-propyl-3-methylimidazolium bis(trifluoromethyl)sulfonyl imide (PMIMTFSI) and DMSO were comparatively investigated the hydrogen bonding properties by spectroscopic and theoretical methods. Some conclusions were obtained: (1) With adding DMSO, the hydrogen bonding strengths in both systems were enhanced. The introduction of the allyl group enhanced the interactions between cations and [TFSI]−. (2) The distinct complexes, for example AMIMTFSI−DMSO [AMIM]+−DMSO were assigned by analysing ν(C2–H). (3) Natural bond orbital (NBO) analysis indicated that the allyl group could attract more electrons than the propyl group to stabilize the complexes; hence, the AMIMTFSI−DMSO system could form stronger hydrogen bonds. This work provides a deep understanding of allyl-functionalized ILs and DMSO systems from a micro perspective, which provides a theoretical basis for future applications of allyl-functionalized ILs.
Published Version
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