Structural and vibrational study of molecular interaction in a ternary liquid mixture of benzylamine, ethanol and benzene

The structural study of the non-covalent interactions in ternary mixture benzylamine (BA), ethanol and benzene has been attempted through Density Functional Theory (DFT) calculation. optimized structure monomers (BA, benzene), BA dimer their complexes (BA-benzene, BA-ethanol, BA-ethanol-benzene) interaction energies are used to describe intermolecular interaction. In addition conventional H-bonding, stability system is found depend on several other such as CH/π, NH/π, OH/π interactions. Fourier Transform InfraRed (FTIR) spectroscopy technique also molecular An interpretation IR stretching bands based provided. variation band position intensity spectra with change concentration shows that different kinds present mixture. strength these varies concentration. At lower benzylamine, weak between takes place, while at mole fractions, N-H-----O, O-H------N or NH/π molecules.