Home – Home – Jornals – Journal of Structural Chemistry 2012 number 5

The structural and thermodynamic characteristics of amide solvents are calculated with different types of molecular self-assembly through hydrogen bonding. Under a model-based approach, the specific and nonspecific components of the total energy of intermolecular interactions are identified for primary, secondary, and tertiary amides of carboxylic acids. It is found that similarly to water, primary amides have a network of hydrogen bonds and belong to the class of liquids characterized by an increase in nonspecific interactions with temperature. In secondary amides with the chain self-assembly, the contribution of these interactions is practically independent of temperature, and in tertiary amides it decreases with an increase in temperature. The molar values of the specific and nonspecific components are used to analyze the intermolecular interactions and the structural properties of amides with different degrees of N-substitution.