New Insights into the Relationship between Ion-Pair Binding Energy and Thermodynamic and Transport Properties of Ionic Liquids

被引：76

作者：

Bernard, Uditha L. ^{[1
]}

Izgorodina, Ekaterina I. ^{[1
]}

MacFarlane, Douglas R. ^{[1
]}

机构：

[1] Monash Univ, Sch Chem, Clayton, Vic 3800, Australia

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2010年 / 114卷 / 48期

基金：

澳大利亚研究理事会;

关键词：

MELTING-POINTS; TEMPERATURE; BIS(TRIFLUOROMETHANESULFONYL)IMIDE; SIMULATION; VISCOSITY; BROMIDES;

D O I：

10.1021/jp1048875

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：

To aid in the design of novel task-specific ionic liquids (ILs), this study investigates the relationship between trends in ion-pair binding energy (IPBE) and trends in thermodynamic and transport properties of ILs. Unlike previous studies, this study considers the two major components of the IPBE, namely, the electrostatic and dispersion. interactions, and suggests how these components relate to melting point and transport properties such as conductivity and viscosity. A range of N-methyl-N-alkylpyrrolidinium and N-methyl-N-alkylimidazolium-based salts paired with Br-, BF4-, PF6-, N(CN)(2)(-), N(SO2CF3)(2)(-) (also known as NTf2-), mesylate, and tosylate anions were studied. It was found that the ratio of total IPBE to its dispersion component correlates well with melting point, whereas the dispersion component of the IPBE correlates well with conductivity and viscosity.

引用

页码：20472 / 20478

页数：7

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