离子液体1-乙基-3-甲基咪唑三氟甲基磺酸盐与水之间的氢键作用

doi:10.3866/PKU.WHXB201407012

Abstract

Abstract:

Attenuated total reflectance infrared (ATR-IR) spectroscopy, two- dimensional correlation spectroscopy, and quantum chemical calculations were used to elucidate the hydrogen-bonding interactions between an ionic liquid (IL), namely 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ([emim][OTf]), and water over a wide concentration range. It was found that water molecules are isolated from each other and embedded in the IL environment at low water concentrations (0.1<x(D₂O)< 0.3). The water molecules occupy the IL interstices, and one water molecule forms two hydrogen bonds, with two [OTf]^- anions."[OTf]^-…HOH… [OTf]^-"hydrogen-bonded complexes exist in the [emim][OTf]^- water system. In this concentration range, the hydrogen-bonding interaction sites between the cation and water is the alkyl C―H rather than the aromatic C―H. At higher water concentrations, the water molecules form hydrogen bonds with themselves, producing water clusters in the mixture. The hydrogen-bonding interaction site between the cation and water is the aromatic C―H rather than the alkyl C―H.

Key words: Ionic liquid, Hydrogen bonding interaction, Attenuated total reflectance infrared spectroscopy, Two-dimensional correlation spectroscopy

SONG Da-Yong, CHEN Jing. Hydrogen-Bonding Interactions between Ionic Liquid 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate and Water[J]. Acta Phys. -Chim. Sin. 2014, 30(9), 1605-1610. doi: 10.3866/PKU.WHXB201407012

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Hydrogen-Bonding Interactions between Ionic Liquid 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate and Water

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