Hydrogen-Bond Dynamics and Water Structure in Aqueous Ethylene Glycol Solution via Two-Dimensional Raman Correlation Spectroscopy

• DOI: 10.1021/acs.jpclett.2c03695
• Publication Date: 2023-02-08T14:07:44Z
• Authors: Bo Yang; Panpan Ren; Lu Xing; Chenglin Sun; Zhiwei Men
• Keywords: 01 natural sciences; 0104 chemical sciences

The hydrogen-bond (H-bond) dynamics and water structural transitions in aqueous ethylene glycol (EG) solution were investigated on the basis of concentration- and temperature-dependent two-dimensional Raman correlation spectroscopy (2D Raman-COS). At room temperature, EG-induced enhancement of the water structure when the EG/water molar ratio is less than 1:28 resulted from the hydrophobic effect around the methylene groups of EG. The decrease in the temperature caused an enhancement of the Raman peak at about 3200 cm-1, representing an increase in the orderliness of water molecules. Further analysis of the water-specific structures by 2D Raman-COS reveals that the strong H-bond structure preferentially responds to external perturbations and induces a weak H-bond structural transition in water. Finally, EG-induced water structural transitions were calculated by the density functional theory (DFT). Hopefully, 2D Raman-COS combined with DFT calculations would advance the study of solute-induced water structural transitions in water-organic chemistry.