Ionic liquids. Combination of combustion calorimetry with high-level quantum chemical calculations for deriving vaporization enthalpies

被引：60

作者：

Emel'yanenko, Vladimir N. ^{[1
]}

Verevkin, Sergey P. ^{[1
]}

Heintz, Andreas ^{[1
]}

Schick, Christoph ^{[2
]}

机构：

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

[2] Univ Rostock, Dept Phys, D-18051 Rostock, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2008年 / 112卷 / 27期

关键词：

D O I：

10.1021/jp802112m

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：

In this work, the molar enthalpies of formation of the ionic liquids [C2MIM][NO3] and [C4MIM][NO3] were measured by means of combustion calorimetry. The molar enthalpy of fusion of [C2MIM] [NO3] was measured using differential scanning calorimetry. Ab initio calculations of the enthalpy of formation in-the gaseous phase have been performed for the ionic species using the G3MP2 theory. We have used a combination of traditional combustion calorimertry with modern high-level ab initio calculations in order to obtain the molar enthalpies of vaporization of a series of the ionic liquids under study.

引用

页码：8095 / 8098

页数：4

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