DFT Study of Complexation Reactions Involving Dicarboxylic Acids: Hydrogen Bonds, Influence of Solvent Nature
Journal: Bulletin of the Karaganda University Chemistry series
Year: 2022

Quantum chemical studies of the protolytic ability of some dicarboxylic acids are carried out. The geometric and kinetic parameters of the dimeric molecules of maleic, succinic, tartaric, oxalic, and adipic acids are in-vestigated. The dimerization energies of these substances are determined by considering the basis set super-position error (BSSE). The effect of the presence of a carbon skeleton, unsaturated bonds, and hydroxy sub-stituents on the dicarboxylic acids kinetic parameters is confirm