The solvent effect on the Diels–Alder reaction in ionic liquids: multiparameter linear solvation energy relationships and theoretical analysis

2010 ◽  
Vol 12 (8) ◽  
pp. 1330 ◽  
Author(s):  
Cinzia Chiappe ◽  
Marco Malvaldi ◽  
Christian Silvio Pomelli
Keyword(s):  
Ionic Liquids ◽  
Theoretical Analysis ◽  
Solvation Energy ◽  
Alder Reaction ◽  
Diels Alder ◽  
Linear Solvation Energy Relationships ◽  
Diels Alder Reaction ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Linear Solvation

Ionic liquids: “normal” solvents or nanostructured fluids?

2021 ◽  
Vol 19 (10) ◽  
pp. 2076-2095
Author(s):  
Salvatore Marullo ◽  
Francesca D'Anna ◽  
Carla Rizzo ◽  
Floriana Billeci
Keyword(s):  
Ionic Liquids ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationships ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Linear Solvation ◽  
Organic Reactivity

This review provides an overview of the literature from 2010 to the present day, covering the effect of ionic liquids (ILs) on organic reactivity. Two major viewpoints emerge, based on linear solvation energy relationships or nanostructure of ILs.

Computational Parameters in Correlation Analysis: Gas-Water Distribution Coefficient

1999 ◽  
Vol 64 (11) ◽  
pp. 1727-1747 ◽  
Author(s):  
George R. Famini ◽  
Dalia Benyamin ◽  
Christina Kim ◽  
Rattiporn Veerawat ◽  
Leland Y. Wilson
Keyword(s):  
Correlation Analysis ◽  
Distribution Coefficient ◽  
Water Distribution ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationships ◽  
Linear Solvation Energy Relationship ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Water Equilibrium ◽  
Linear Solvation

Theoretical linear solvation energy relationships (TLSER) combine computational molecular parameters with the linear solvation energy relationship (LSER) of Kamlet and Taft to characterize and predict properties of compounds. This paper examines the correlation of the gas-water equilibrium constant for 423 compounds with the TLSER parameters. Also, it describes new parameters designed to improve the TLSER information content.

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