Estimating Enthalpies of Vaporization of Imidazolium-Based Ionic Liquids from Far-Infrared Measurements

被引：63

作者：

Fumino, Koichi ^{[1
]}

Wulf, Alexander ^{[1
]}

Verevkin, Sergey P. ^{[1
]}

Heintz, Andreas ^{[1
]}

Ludwig, Ralf ^{[1
,2
]}

机构：

[1] Univ Rostock, Phys Chem Abt, Inst Chem, D-18059 Rostock, Germany

[2] Univ Rostock, Leibniz Inst Katalyse, D-18059 Rostock, Germany

来源：

CHEMPHYSCHEM | 2010年 / 11卷 / 08期

关键词：

ab initio calculations; cohesion energy; enthalpy of vaporization; far-infrared spectroscopy; ionic liquids; COMBUSTION CALORIMETRY; VAPOR-PRESSURE; SIMULATIONS; VOLATILITY; SOLVENTS;

D O I：

10.1002/cphc.201000140

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 determination of enthalpies of vaporization for ionic liquids is a real challenge. R. Ludwig et al. show on p. 1623 that this important thermodynamic property can be estimated from low vibrational bands in the far infrared spectra of this new liquid material. © 2010 Wiley-VCH Verlag GmbH & Co.

引用

页码：1623 / 1626

页数：4

共 32 条

[1] Vapourisation of ionic liquids [J].

Armstrong, James P. ;

Hurst, Christopher ;

Jones, Robert G. ;

Licence, Peter ;

Lovelock, Kevin R. J. ;

Satterley, Christopher J. ;

Villar-Garcia, Ignacio J. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2007, 9 (08) :982-990

[2] Spectroscopic studies of the hydrogen bond. II. The shift of the O-H vibrational frequency in the formation of the hydrogen bond [J].

Badger, RM ;

Bauer, SH .

JOURNAL OF CHEMICAL PHYSICS, 1937, 5 (11) :839-851

[3]

BADGER RM, 1940, J CHEM PHYS, V8, P288, DOI DOI 10.1063/1.1750645

[4] Neutral and charged 1-butyl-3-methylimidazolium triflate clusters:: Equilibrium concentration in the vapor phase and thermal properties of nanometric droplets [J].

Ballone, P. ;

Pinilla, C. ;

Kohanoff, J. ;

Del Popolo, M. G. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (18) :4938-4950

[5] Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids [J].

Borodin, Oleg .

JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 113 (33) :11463-11478

[6] Measuring and predicting ΔvapH298 values of ionic liquids [J].

Deyko, Alexey ;

Lovelock, Kevin R. J. ;

Corfield, Jo-Anne ;

Taylor, Alasdair W. ;

Gooden, Peter N. ;

Villar-Garcia, Ignacio J. ;

Licence, Peter ;

Jones, Robert G. ;

Krasovskiy, Vladimir G. ;

Chernikova, Elena A. ;

Kustov, Leonid M. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (38) :8544-8555

[7] Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids [J].

Diedenhofen, Michael ;

Klamt, Andreas ;

Marsh, Kenneth ;

Schaefer, Ansgar .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2007, 9 (33) :4653-4656

[8] The distillation and volatility of ionic liquids [J].

Earle, MJ ;

Esperança, JMSS ;

Gilea, MA ;

Lopes, JNC ;

Rebelo, LPN ;

Magee, JW ;

Seddon, KR ;

Widegren, JA .

NATURE, 2006, 439 (7078) :831-834

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

Emel'yanenko, Vladimir N. ;

Verevkin, Sergey P. ;

Heintz, Andreas ;

Schick, Christoph .

JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (27) :8095-8098

[10] The gaseous enthalpy of formation of the ionic liquid 1-butyl-3-methylimidazolium dicyanamide from combustion calorimetry, vapor pressure measurements, and ab initio calculations [J].

Emel'yanenko, Vladimir N. ;

Verevkin, Sergey P. ;

Heintz, Andreas .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (13) :3930-3937

← 1 2 3 4 →