Thermodynamic properties of 1-alkyl-3-methylimidazolium bromide ionic liquids

Paulechka, Yauheni U.; Kabo, Gennady J.; Blokhin, Andrey V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Vygodskii, Ya. S.

doi:10.1016/j.jct.2006.05.008

Cited by 124 publications

(101 citation statements)

References 24 publications

(29 reference statements)

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“…Compound 2: 1-Ethyl-3-methylimidazolium bromide [27] (5.0 g, 26.18 mmol) was suspended in thf (100 mL). Potassium tert-butoxide (3.5 g, 31.19 mmol) was separately suspended in thf (10 mL) and added to the imidazolium bromide suspension.…”

Section: Methodsmentioning

confidence: 99%

CO₂, Magnesium, Aluminum, and Zinc Adducts of N‐Heterocyclic Carbenes as (Latent) Catalysts for Polyurethane Synthesis

et al. 2009

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A series of magnesium, aluminum, and zinc complexes of imidazol-2-ylidene-, imidazolin-2-ylidene-, and tetrahydropyrimidin-2-ylidene-derived N-heterocyclic carbenes (NHCs) was prepared. In addition, both symmetrical and unsymmetrical CO 2 -protected imidazol-2-ylidenes and imidazolin-2-ylidenes were prepared. Selected single-crystal Xray structures are reported. All compounds were investigated for their catalytic behavior in (poly)urethane (PUR) synthesis. Out of nine different compounds, the dimeric complex [Zn(CH 3 COO) 2 (1,3-dimesitylimidazol-2-ylidene)] 2 (7) proved to be the most active one, rivaling the industrially most relevant catalyst dibutyltin dilaurate in terms of catalytic ac-

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Section: Methodsmentioning

confidence: 99%

CO₂, Magnesium, Aluminum, and Zinc Adducts of N‐Heterocyclic Carbenes as (Latent) Catalysts for Polyurethane Synthesis

et al. 2009

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“…Nevertheless, each polymorph might have its own distinct melting temperature. [27][28][29]167] [25] ) in the lattice and also assume the solid-state entropy to be unchanged. Then, the melting point of a crystal of a hypothetical, energetically more favored conformer would be 19.0 8C according to Equation (3):…”

Section: Phase Behaviormentioning

confidence: 99%

Is Universal, Simple Melting Point Prediction Possible?

et al. 2011

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An investigation of the melting points of 520 organic 1:1 salts is presented with the aim of developing a universal, simple, physically well-founded prediction scheme. The general reliability and reproducibility of the recorded experimental data are discussed with respect to purity, phase behavior, disorder and thermal history of a given substance. Additionally, mistakes, systematic errors, or lack of conventions can lead to considerable differences in the experimental measurements. A rough error bar for the reproducibility of the melting points of organic salts of ±5 to ±15 °C can be assigned. With this restraint, we developed two simple, semiempirical, five- and nine-parameter schemes with easy-to-calculate quantities. With these, we could predict the melting temperature of a given organic salt in the temperature range of -25 to +300 °C with an average error of 33.5 °C and a relative error of 9.3%. All calculated quantities are assessed with the help of conventional DFT, COSMO and COSMO-RS calculations, and are currently implemented into the IL-Prop module of the upcoming version of COSMOtherm. These prediction schemes are suitable for high-throughput computational screening of substances in the context of "computer-aided synthesis". Therefore, they are valuable tools to find a compound with a suitable melting point before its first synthesis.

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“…2-Substituted ionic liquids used in this investigation were prepared in accordance with published procedures [33,[35][36][37][38][39][40] and checked for purity by elemental analysis, NMR and IR spectroscopy.…”

Section: Ionic Liquids (Ils)mentioning

confidence: 99%

Conductive Polymer Electrolytes Derived from Poly(norbornene)s with Pendant Ionic Imidazolium Moieties

Vygodskii

Shaplov

Lozinskaya

et al. 2007

Macro Chemistry & Physics

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Poly(norbornene)s with pendant imidazolium moieties and three different counter anions, i.e. poly[exo,endo‐5‐norbornene‐2‐yl‐carboxyethyl‐3‐ethylimidazolium bis(trifluoromethyl‐sulfonyl)imide], poly(exo,endo‐5‐norbornene‐2‐yl‐carboxyethyl‐3‐ethylimidazolium tetrafluoroborate), and poly(exo,endo‐5‐norbornene‐2‐yl‐carboxyethyl‐3‐ethylimidazolium hexafluorophosphate) were prepared via ROMP using ionic liquids as the reaction medium. The ionic polymers possessed $\overline M _{\rm w}$ in the range 8.1–44 × 103 and ionic conductivity up to 1.13 × 10−5 and 1.44 × 10−4 S · cm−1 at 20 and 50 °C, respectively. The solubility of the new polymeric ionic liquids, their thermal stability and their glass transition temperatures were investigated in detail. Ionic conductivities were found to depend on the nature of the counter‐anion and on the polymers' glass transition temperature rather than its molecular weight.magnified image

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Thermodynamic properties of 1-alkyl-3-methylimidazolium bromide ionic liquids

Cited by 124 publications

References 24 publications

CO₂, Magnesium, Aluminum, and Zinc Adducts of N‐Heterocyclic Carbenes as (Latent) Catalysts for Polyurethane Synthesis

CO₂, Magnesium, Aluminum, and Zinc Adducts of N‐Heterocyclic Carbenes as (Latent) Catalysts for Polyurethane Synthesis

Is Universal, Simple Melting Point Prediction Possible?

Conductive Polymer Electrolytes Derived from Poly(norbornene)s with Pendant Ionic Imidazolium Moieties

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Thermodynamic properties of 1-alkyl-3-methylimidazolium bromide ionic liquids

Cited by 124 publications

References 24 publications

CO2, Magnesium, Aluminum, and Zinc Adducts of N‐Heterocyclic Carbenes as (Latent) Catalysts for Polyurethane Synthesis

CO2, Magnesium, Aluminum, and Zinc Adducts of N‐Heterocyclic Carbenes as (Latent) Catalysts for Polyurethane Synthesis

Is Universal, Simple Melting Point Prediction Possible?

Conductive Polymer Electrolytes Derived from Poly(norbornene)s with Pendant Ionic Imidazolium Moieties

Contact Info

Product

Resources

About

CO₂, Magnesium, Aluminum, and Zinc Adducts of N‐Heterocyclic Carbenes as (Latent) Catalysts for Polyurethane Synthesis

CO₂, Magnesium, Aluminum, and Zinc Adducts of N‐Heterocyclic Carbenes as (Latent) Catalysts for Polyurethane Synthesis