Thermochemistry of imidazolium-based ionic liquids: experiment and first-principles calculations

Literature Information

Publication Date 2010-10-15
DOI 10.1039/C0CP00747A
Impact Factor 3.676
Authors

Sergey P. Verevkin, Vladimir N. Emel’yanenko, Dzmitry H. Zaitsau, Andreas Heintz, Chris D. Muzny, Michael Frenkel


View Original

Abstract

In this work the molar enthalpy of formation of the ionic liquid 1-ethyl-3-methylimidazolium dicyanoamide in the gaseous phase [C2MIM][N(CN)2] was measured by means of combustion calorimetry and enthalpy of vaporization using transpiration. Available, but scarce, primary experimental results on enthalpies of formation of imidazolium based ionic liquids with the cation [CnMIM] (where n = 2 and 4) and anions [N(CN)2], [NO3] and [NTf2] were collected and checked for consistency using a group additivity procedure. First-principles calculations of the enthalpies of formation in the gaseous phase for the ionic liquids with the common cation [CnMIM] (where n = 2 and 4) and with the anions [N(CN)2], [NO3], [NTf2], [Cl], [BF4] and [PF6] have been performed using the G3MP2 theory. It has been established that the gaseous phase enthalpies of formation of these ionic liquids obey the group additivity rules.

Related Literature

Impact of Nb vacancies and p-type doping of the NbCoSn–NbCoSb half-Heusler thermoelectrics

Daniella A. Ferluccio, Ronald I. Smith, Jim Buckman, Jan-Willem G. Bos

2018-01-05 Paper

DOI: 10.1039/C7CP07521A

Electron transport in polycyclic aromatic hydrocarbons/boron nitride hybrid structures: density functional theory combined with the nonequilibrium Green's function

S. F. K. S. Panahi, Afshin Namiranian, Maryam Soleimani, Maryam Jamaati

2018-01-10 Paper

DOI: 10.1039/C7CP07260K

Harvesting visible light with MoO3 nanorods modified by Fe(iii) nanoclusters for effective photocatalytic degradation of organic pollutants

U. Alam, S. Kumar, J. Koch, C. Tegenkamp, M. Muneer

2018-01-17 Paper

DOI: 10.1039/C7CP08206A

Remarkable hydrogen storage properties of MgH2 doped with VNbO5

Antonio Valentoni, Gabriele Mulas, Stefano Enzo

2018-01-05 Paper

DOI: 10.1039/C7CP07157D

Anionic merocyanine dyes based on thiazol-2-hydrazides: reverse solvatochromism, preferential solvation and multiparametric approaches to spectral shifts

Arindam Mukhopadhyay, Krishna J. Mandal, Jarugu Narasimha Moorthy

2018-01-15 Paper

DOI: 10.1039/C7CP06766F

Low-temperature solution-processed vanadium oxide as hole transport layer for efficient and stable perovskite solar cells

Qiang Guo, Chenyun Wang, Jinyan Li, Yiming Bai, Fuzhi Wang, Lin Liu, Bing Zhang, Ahmed Alsaedi, Zhan’ao Tan

2018-08-01 Paper

DOI: 10.1039/C8CP03223H

Front cover

Cover

DOI: 10.1039/C8CP90032A

Manipulating triplet states: tuning energies, absorption, lifetimes, and annihilation rates in anthanthrene derivatives

Jianmin Shi, Tod A. Grusenmeyer, Christopher L. McCleese, Ryan M. O’Donnell, Thomas M. Cooper, William M. Shensky, III, Joy E. Haley

2018-10-31 Paper

DOI: 10.1039/C8CP06048G

You might also like

Compound Q&A

Is 6-(3-Fluorophenyl)picolinic acid (CAS: 887982-40-3) safe?

6-(3-Fluorophenyl)picolinic acid is generally considered safe for laboratory use...

887982-40-36-(3-Fluorophenyl)pi...
Compound Q&A

What industries use (3R)-3-Pyrrolidinol (CAS: 2799-21-5)?

(3R)-3-Pyrrolidinol is used in the pharmaceutical industry as a precursor for dr...

2799-21-5(3R)-3-Pyrrolidinol
Compound Q&A

What precautions should be taken when handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-8)?

When handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-...

59779-75-8(4R,5R)-4,5-Diethoxy...
Compound Q&A

How is 1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (CAS: 90734-71-7) typically synthesized?

1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is often synthesized via a mult...

90734-71-71-(6-Chloroimidazo[1...
Compound Q&A

What is the market or research trend for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1)?

The market for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1) remains steady,...

39180-83-1N-Ethyl-3,4-dimethyl...
Compound Q&A

What is Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate (CAS: 1019008-21-9)?

Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate is a chemical compound wit...

1019008-21-9Tert-butyl 3-(pyrrol...
Compound Q&A

What regulatory guidelines apply to 1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1)?

1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1) falls under the classi...

1228956-93-11-Bromo-3-chloro-2,4...
Compound Q&A

Is 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07-4) safe?

The safety of 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07...

1368622-07-48-Bromo-2-methyl-3,4...
Compound Q&A

Is Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate (CAS: 22785-43-9) safe?

Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate is generally safe when handled wi...

22785-43-9Benzyl [(3S)-2,6-dio...
Compound Q&A

How should 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine (CAS: 928657-21-0) be stored?

1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine s...

928657-21-01-{[4-(4,4,5,5-Tetra...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.