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Updated: Jul 13, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Depth profiling of water molecules at the liquid-liquid interface using a combined surface vibrational spectroscopy
Dave S Walker1, Geraldine L Richmond
1Department of Chemistry and Materials Science Institute, University of Oregon, Eugene, OR 97403, USA.
Abstract:
The studies presented here combine experimental and computational approaches to provide new insights into how water structures and penetrates into the organic phase at two different liquid-liquid systems: the interfaces of carbon tetrachloride-water (CCl4-H2O) and 1,2-dichloroethane-water (DCE-H2O). In particular, molecular dynamics simulations are performed to generate computational spectral intensities of the CCl4-H2O and DCE-H2O interfaces that are directly comparable with experimental measurements. These simulations are then applied toward the generation of spectral profiles, responses that vary as functions of both frequency and interfacial depth. These studies emphasize the similarities and differences in the structure, orientation, and bonding of interfacial water as a function of interfacial depth for these two liquid-liquid systems and demonstrate the differing behavior of water monomers that penetrate into the organic phase.
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