Studies on free energy and its components of 2-Phenylindole and its derivatives

Free energy of solvation plays an important role in solvation analysis. Quantum mechanical studies are used to calculate free energies and thermodynamic quantities like cavitation enthalpies. Solvation analysis is done on 2-Phenylindole, Methyl 2-Phenylindole and Ethyl 2-Phenylindole with a set of protic and aprotic solvents. The systematic comparisons of the free energies and its components are carried out from the self-consistent field. The dipole moments and induced dipole moments are calculated and discussed.