Journal of Physical Organic Chemistry · 1998 · 196 citations · 22 references
Natural SciencesChemistryComputational ChemistryMolecular PhysicsPhysical ChemistrySolution ChemistrySolvation EffectsSolvation ModelingSolvation TheoryBinary MixturesBinary Solvent SystemsPolarizability EffectsSolute-solvent InteractionsSolvent InteractionsSolvent PolaritySolvent PropertiesSolvent-mediated Interactions
A preferential solvation model that takes into account the enhancement of the structure of water when small amounts of alcohol are added was applied to solvatochromic data for binary mixtures of water with 2-methylpropan-2-ol, propan-2-ol, ethanol and methanol. Application of the model allows the calculation of the effect of the enhancement of the water structure on solvatochromic solvent properties. It is demonstrated that the enhancement of water structure increases the solvent dipolarity/polarizability and hydrogen-bond donor acidity and decreases the solvent hydrogen-bond acceptor basicity. The effect decreases in the order 2-methylpropan-2-ol–water, propan-2-ol–water, ethanol–water and methanol–water. © 1998 John Wiley & Sons, Ltd.
22
Mortimer J. Kamlet, J.‐L. M. Abboud, Michael H. Abraham et al. · The Journal of Organic Chemistry · 1983 · 3.6K citations