Vibrational Sum-Frequency Spectroscopy of Alkane/Water Interfaces:  Experiment and Theoretical Simulation

Autor: Brown, M. G., Walker, D. S., Raymond, E. A., Richmond, G. L.
Zdroj: The Journal of Physical Chemistry - Part B; January 2003, Vol. 107 Issue: 1 p237-244, 8p
Abstrakt: The vibrational spectra of interfacial water at a series of alkane/water interfaces have been measured using vibrational sum-frequency spectroscopy. The OH stretching modes of water have been used to characterize the water−water and alkane−water interactions present at these hydrophobic/aqueous interfaces; these results are then compared with previous studies of the CCl4/H2O interface. The results for all alkanes examined are similar and have general spectral characteristics that coincide with the CCl4/H2O interface. All spectra show weaker hydrogen bonding interactions than have been observed for the vapor/water interface. Molecular dynamics calculations are used to complement the experimental results in obtaining a more complete picture of the interfacial interactions.
Databáze: Supplemental Index