Solvation State of 18-Crown-6 Ether in Nonaqueous Solvents: Quantum-Chemical Calculations
摘要
Abstract
The Gibbs energies of solvation of 18-crown-6 ether (18C6) in methanol, ethanol, acetonitrile, and dimethylsulfoxide were calculated by quantum-chemical modeling. The contributions from the universal and specific types of interaction between the 18C6 and solvent molecules to the change in the Gibbs energies of macrocycle solvation after the replacement of alcohols by aprotic solvents were estimated.