Specific Intermolecular Interactions of Ketones

Abstract

The performed thermodynamic analysis based on various properties of symmetric and unsymmetrical saturated and unsaturated ketones, diketones, oxyketones, saturated and unsaturated cyclic ketones substantiated the termination of the influence of the reverse dative bond on the stability of ketones at reaching three carbon atoms in the alkyl chain. The types of the specific interactions in various ketone classes were formulated, their energies and rules of variation were determined. The structure of liquid and crystalline state of ketones was discussed and substantiated. The role of the isostructural methyl group in the electron density distribution was revealed and the dependence of the energy of the formed interaction on the location of the methyl group in the alkyl chain, its remoteness from the carbonyl atom in the molecule was found. The presence of equivalent alkyl fragments with surrounding isostructural methyl groups ensure the stabilization of the molecule and decrease in the energy of the formed specific interaction.