Phenol-cyclohexanol eutectic mixtures: Phase diagram and microscopic structure by experimental and computational studies

• Non ionic eutectic solvents: phenol-cyclohexanol mixture. SLE phase diagram by DSC experiment. Microscopic structure and hydrogen bonding IR spectroscopy, X-ray diffraction theoretical calculations. deep solvents (type V) have been recently proposed as innovative alternative solvents. Prepared mixing the starting components, their mixtures show strong deviations from thermodynamic ideality. An example of solvent is 1:1 thymol-menthol mixture: ideality are originated strength bond between different components. With aim to investigate role in non-ideality phenolic alcoholic compounds, we studied structural properties cyclohexanol phenol coupling experimental computational techniques. The was measured differential scanning calorimetry (DSC) providing a lowest melting point at about -35°C . microscopic composition characterized infrared spectroscopy (FT-IR), DFT classical molecular dynamic simulations. pattern compared with MD results describe intermolecular interactions cyclohexanol. ideal seem be smaller than those observed for nature system has that quantum chemistry In both systems heteroassociation energetically preferred homoassociation because stronger however van der Waals contributions involving alkyl groups can play an additional significant association system.