Related Experiment Video
Updated: Jun 27, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Vibrational sum-frequency spectroscopy of the liquid/vapor interface for dilute HOD in D(2)O
1Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin 53706, USA.
Abstract:
An electronic structure/molecular dynamics approach, originally developed to describe the vibrational spectroscopy of the OH stretch of dilute HOD in liquid D(2)O, is applied to the vibrational sum-frequency spectroscopy of the liquid/vapor interface of this system. In both cases the OH stretch is effectively decoupled from the OD stretches, allowing it to act as a local probe of structure and dynamics. A mixed quantum/classical expression for the vibrational sum-frequency response that includes the effect of motional narrowing is used to calculate the resonant susceptibility. Despite being developed for the bulk liquid, our method works well for the surface in that the real and imaginary parts of the resonant susceptibility are in good agreement with experiment. We explore the nature of hydrogen bonding at the interface as well as its impact on the sum-frequency spectrum. It is found that the spectrum is dominated by single-donor molecules with a total of two or three hydrogen bonds.
More Related Videos
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
10:03The Preparation of Electrohydrodynamic Bridges from Polar Dielectric Liquids
Published on: September 30, 2014
Related Concept Videos
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...
Distillation: Vapor–Liquid Equilibria
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...
¹H NMR of Labile Protons: Deuterium (²H) Substitution
Atomic Absorption Spectroscopy: Atomization Methods
Vapor Pressure of Fluid
When a liquid is placed in a closed container with a small air space, and the space is evacuated, vapor molecules will...