Ion-pair formation in the ionic liquid 1-ethyl-3-methylimidazolium bis(triflyl)imide as a function of temperature and concentration

被引：301

作者：

Koeddermann, Thorsten ^{[1
]}

Wertz, Christiane ^{[1
]}

Heintz, Andreas ^{[1
]}

Ludwig, Ralf ^{[1
]}

机构：

[1] Univ Rostock, Inst Chem, Chem Phys Abt, D-18051 Rostock, Germany

来源：

CHEMPHYSCHEM | 2006年 / 7卷 / 09期

关键词：

density functional calculations; hydrogen bonds; ion pairs; ionic liquids; IR spectroscopy;

D O I：

10.1002/cphc.200600034

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structures and ion-pair formation in the ionic liquid (IL) 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide are studied by a combination of FTIR measurements and DFT calculations. We could clearly distinguish imidazolium cations that are completely H-bonded to anions from those that are single H-bonded in ion pairs. Ion-pair formation already occurs in the neat IL and rises with temperature. Ion-pair formation is strongly promoted by dilution of the IL in chloroform. In these weakly polar environments ion pairs H-bonded via C(2)H are strongly favored over those H-bonded via C(4,5)H. This finding is in agreement with DFT (gas phase) calculations, which show a preference for ion pairs H-bonded via C(2)H as a result of the acidic C(2)H bond.

引用

页码：1944 / 1949

页数：6

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