Related Experiment Video
Updated: Aug 7, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Molecular structure and OH-stretch spectra of liquid water surface
1The Fritz Haber Institute for Molecular Dynamics, The Hebrew University, Jerusalem 91904, Israel.
Abstract:
Molecular dynamics simulations are used to investigate typical coordination shells of molecules in the liquid water surface, for two potential energy surfaces. The major undercoordinated species found in the surface include three-coordinated H2O with either a dangling-H or a dangling-O atom and two-coordinated H2O with one hydrogen bond via H, and another via O. Vibrational signatures of the different coordinations are calculated. The 3400 cm(-1) band in the surface sum frequency generation (SFG) spectrum is assigned to four-coordinated molecules within the surface layer. The low-frequency wing of the OH-stretch band, near 3200 cm(-1) in the SFG spectrum, is proposed to be due to collective excitations of a relatively small number of intermolecularly coupled O-H bond vibrations.
More Related Videos
09:43Interfacial Molecular-level Structures of Polymers and Biomacromolecules Revealed via Sum Frequency Generation Vibrational Spectroscopy
Published on: August 13, 2019
08:49Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy
Published on: December 1, 2023
Related Concept Videos
IR Spectrum Peak Broadening: Hydrogen Bonding
However, the extent of hydrogen bonding influences the observed stretching frequency and band broadening. Intermolecular or intramolecular hydrogen bonding...
IR Frequency Region: X–H Stretching
IR Spectroscopy: Molecular Vibration Overview
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...
IR and UV–Vis Spectroscopy of Aldehydes and Ketones
Molecular Shapes