Molecular dynamic investigation of ethanol-water mixture by terahertz-induced Kerr effect.

Abstract

The terahertz Kerr effect (TKE) spectroscopy provides time-resolved measurement of low-frequency molecular motions of liquids. Here, the intense broadband terahertz (THz) pulses resonantly excite multiple molecular modes in pure ethanol and ethanol-water mixtures. For pure ethanol, the obtained unipolar TKE response contains the molecular relaxation information extending over tens of picoseconds, which originates from the coupling between the permanent molecular dipole moment of ethanol and the THz electric field. For ethanol-water mixtures with different molar proportions, the results observed on the sub-picosecond time scale can always be divided into the linear superposition of the TKE signals of pure ethanol and water. Under the observation time window over tens of picoseconds (after 1 picosecond), the relative molecular contribution of ethanol in the mixture changes nonlinearly with the increase of water molecules, implying the complex structural perturbation of ethanol hydrogen bond network in the mixture. This work provides a new perspective for further investigation on the hydrogen bond network structure and dynamics in aqueous amphiphilic solutions.