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Updated: Jan 15, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
-NH2 Driven Dynamic Reconstruction of Hydrogen-Bond Networks in 3-Aminopropanol-Water System Revealed by
Zhenguo Dou1, Yue Zhao1, Junshan Xiu1
1School of Physics and Optoelectronic Engineering, Shandong University of Technology, Zibo 255000, China.
Abstract:
The hydrogen-bond (HB) network dynamics and intermolecular interactions in 3-aminopropanol (3AP)-water mixtures were systematically investigated using spontaneous and stimulated Raman spectroscopy (SRS), two-dimensional correlation Raman spectroscopy (2D Raman-COS), and density functional theory (DFT) calculations. Concentration-dependent Raman spectral analyses revealed distinct vibrational shifts in -OH, -NH2, and -CH2 stretching modes, with nonlinear trends and critical transitions at 3AP volume fractions of 0.3 and 0.7. 2D Raman-COS demonstrated preferential -NH2 restructuring of the HB network, followed by -CH2 and water OH perturbations, indicating a sequential response mechanism. DFT calculations elucidated the stable configurations of the 3AP-(H2O)2, 3AP-H2O, and (3AP)2-H2O clusters, demonstrating the competitive O-H:N/O HB synergy in the 3AP-water system and validating the molecular basis of the three-stage solvation mechanism. This study provides molecular-level insights into the dynamic regulation of solvent microenvironments by amphiphilic molecules, offering a new perspective for understanding HB network reorganization in solution systems.
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