Solvent and substituent effects on the conformational equilibria and intramolecular hydrogen bonding of 4-substituted-2-hydroxybenzaldehydes

The influence of p-substituents and solvent effects on the conformational equilibria and the strength of the intramolecular hydrogen bond of 4-substituted-2-hydroxybenzaldehydes were studied by means of a B3LYP/6-31G(d) method that makes use of the SCIPCM model.