Study of the Interaction energy of ۱-Ethyl-۳-methylimidazolium Tetrafluoroborate inOrganic Solvents

In this study, we examined the interplay between ۱-ethyl-۳-methylimidazolium and tetrafluoroboratein three different solvents: methanol, acetone, and tetrahydrofuran. Our investigation involved determining andanalyzing interaction energy, Gibbs free energy, as well as enthalpy and entropy components, employingGaussian level ۳ (G۳) along with CPCM and IEFPCM models. Significant energy variations were observed betweenion-pair solvation and integration, contributing to the explanation of solvation effects on energy.

کلیدواژه ها:

Gaussian ، Ionic Liquid ، Gibbs free energy ، organic solvent