Lewis Acidity/Basicity Changes in Imidazolium Based Ionic Liquids Brought About by Impurities

被引:10
作者
Gazitua, Marcela [1 ]
Fuentealba, Patricio [2 ]
Contreras, Renato [3 ]
Ormazabal-Toledo, Rodrigo [2 ,3 ]
机构
[1] Clin Alemana Univ Desarrollo, Fac Med, Ctr Quim Med, Santiago 7710162, Chile
[2] Univ Chile, Fac Ciencias, Dept Fis, Santiago, Chile
[3] Univ Chile, Fac Ciencias, Dept Quim, Santiago, Chile
关键词
AROMATIC NUCLEOPHILIC-SUBSTITUTION; ENCODED AMINO-ACIDS; ATOMS-IN-MOLECULES; CONVENTIONAL SOLVENTS; ELECTRON-DENSITY; FUKUI FUNCTIONS; GREEN SOLVENTS; PHYSICAL BASIS; VSEPR MODEL; ARYL AZIDES;
D O I
10.1021/acs.jpcb.5b05305
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
We herein report on the effect that water molecules, present as impurities, in the vicinity of an ionic liquid model structure, may induce on the Lewis acidity/basicity patterns normally observed in these materials. Depending on the position and orientation of water, the Lewis acidity/ basicity pattern changes from "normal distribution" (i.e., the basicity located at the anion moiety and the acidity located at the cation fragment) to "bifunctional distribution" (i.e., the acidity and basicity located at the cation moiety). In some specific cases, there appears a third Lewis acidity/basicity distribution, where water may bind both the cation and the anion of the ion pair; a response we tentatively call "amphoteric". These effects are clearly traced to the hydrogen bond formation ability of water to coordinate different regions of pure ionic liquids taken as references.
引用
收藏
页码:13160 / 13166
页数:7
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