PMID: 11911691Mar 26, 2002Paper

Correlation of the melting points of potential ionic liquids (imidazolium bromides and benzimidazolium bromides) using the CODESSA program

Journal of Chemical Information and Computer Sciences
A R KatritzkyRobin D Rogers

Abstract

The melting points of several imidazolium-based ionic liquids or ionic liquid analogues were correlated using the CODESSA program in order to develop predictive tools for determination of suitable ionic liquid salts. The data set consisted of melting point data (degrees C) for 104 substituted imidazolium bromides divided on the basis of the N-substituents into three subsets: A-57 compounds, B-29 compounds, and C-18 compounds. The 45 benzimidazolium bromides form set D. Five-parameter correlations were obtained for (i) set A with R2 = 0.7442, (ii) set B with R2 = 0.7517, and (iii) set D with R2 = 0.6899, while set C was correlated with a three parameter equation with R(2) = 0.9432. These descriptors for predicting the melting points of the imidazolium and benzimidazolium bromides were based on the size and electrostatic interactions in the cations.

References

Feb 8, 2000·Journal of Chemical Information and Computer Sciences·A R KatritzkyM Karelson

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Citations

Dec 12, 2012·European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences·Inês J SousaMiguel X Fernandes
Nov 26, 2008·Bioorganic & Medicinal Chemistry·Alessio CoiAnna Maria Bianucci
Apr 10, 2007·European Journal of Medicinal Chemistry·Ilaria MassarelliAnna Maria Bianucci
Apr 19, 2016·Chemical Reviews·Karel GoossensKoen Binnemans
Apr 3, 2014·Journal of Chromatography. a·Colin F Poole, Nicole Lenca
Oct 1, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Ulrich P PreissIngo Krossing
Apr 21, 2012·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Simon N Butler, Florian Müller-Plathe
Oct 26, 2010·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Ulrich PreissIngo Krossing
Jan 6, 2015·Chemistry : a European Journal·Mourad ElhabiriAlexandre Varnek
Mar 6, 2007·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Ignacio López-MartinGadi Rothenberg
Jun 15, 2007·Angewandte Chemie·John M SlatteryIngo Krossing
May 25, 2006·Physical Chemistry Chemical Physics : PCCP·Jairton Dupont, Paulo A Z Suarez
May 4, 2011·Chemistry : a European Journal·Ulrich PreissIngo Krossing
Jul 14, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Safak BulutIngo Krossing
Feb 4, 2011·Journal of Separation Science·Colin F Poole, Salwa K Poole
Jun 15, 2011·Physical Chemistry Chemical Physics : PCCP·Koichi FuminoRalf Ludwig
Sep 2, 2011·Physical Chemistry Chemical Physics : PCCP·Alexander A OliferenkoJosé S Torrecilla
Sep 27, 2008·Physical Chemistry Chemical Physics : PCCP·José S TorrecillaIgnacio López-Martin
Jul 20, 2011·Dalton Transactions : an International Journal of Inorganic Chemistry·Safak BulutIngo Krossing
Mar 30, 2012·Physical Chemistry Chemical Physics : PCCP·Bong-Seop Lee, Shiang-Tai Lin
Aug 20, 2019·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Gonçalo V S M CarreraLuís P N Rebelo
Jun 2, 2011·Angewandte Chemie·Tim PeppelRalf Ludwig
Jan 12, 2007·The Journal of Physical Chemistry. a·Sergey A KatsyubaPaul J Dyson
Sep 18, 2009·Chemical Reviews·André PinkertMark P Staiger
Aug 7, 2008·The Journal of Physical Chemistry. a·Steven D ChambreauGhanshyam L Vaghjiani
Nov 10, 2005·Chemical Reviews·Koen Binnemans
Mar 27, 2007·Journal of Chemical Information and Modeling·Alexandre VarnekVitaly P Solov'ev
May 1, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Dhruve Kumar MitalAlnoman Taha
Jul 25, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Andrea MezzettaLorenzo Guazzelli
Apr 28, 2012·The Journal of Physical Chemistry. B·Yoshitaka ShimizuKazuya Saito
Jun 15, 2019·Journal of Chemical Information and Modeling·Jorge Alberto Cerecedo-CordobaNohra Violeta Gallardo-Rivas
Jun 1, 2005·Journal of Chemical Information and Modeling·M KarthikeyanAndreas Bender

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