Identification of a wagging vibrational mode of water molecules at the water/vapor interface

An improved time correlation function description of sum frequency generation (SFG) spectroscopy was applied to theoretically describe the water/vapor interface. The resulting spectra compare favorably in shape and relative magnitude to extant experimental results in the O-H stretching region of wat...

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Bibliographic Details
Published in:Physical review. E, Statistical, nonlinear, and soft matter physics Statistical, nonlinear, and soft matter physics, 2005-05, Vol.71 (5 Pt 1), p.050601-050601, Article 050601
Main Authors: Perry, Angela, Neipert, Christine, Ridley, Christina, Space, Brian, Moore, Preston B
Format: Article
Language:English
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Summary:An improved time correlation function description of sum frequency generation (SFG) spectroscopy was applied to theoretically describe the water/vapor interface. The resulting spectra compare favorably in shape and relative magnitude to extant experimental results in the O-H stretching region of water. Further, the SFG spectra show a well-defined intermolecular mode at 875 cm(-1) that has significant intensity. The resonance is due to a wagging mode localized on a single water molecule. It represents a well-defined population of water molecules at the interface that, along with the free O-H modes, represent the dominant interfacial species.
ISSN:1539-3755
1550-2376
DOI:10.1103/physreve.71.050601