Vibrational Spectroscopy of Water

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James Skinner of the University of Wisconsin - Madison is supported by an award from the Theoretical and Computational Chemistry program to carry out research on the development of theoretical models for several spectroscopic investigations of water. New experimental data using both traditional frequency-domain infrared and Raman measurements as well as newer measurements are being studied with an eye to obtaining a molecular-level understanding of the structural and dynamical properties of water that follow from the data. Skinner and his group are also developing a similar theory for sum-frequency generation spectroscopy of the liquid water/vapor interface and comparing to steady state and recent ultrafast experiments. The latter involves a study of the vibrational spectra of supercritical water and ice. Water is of utmost importance through its role in processes key to living systems and the environment. Despite its simplicity, its properties, particularly in the liquid and solid (ice) phases, are complex and not fully understood. Modern spectroscopic methods are being used to probe for molecular-level explanations of these properties and Skinner's work is helping to provide explanations and deeper understandings of this all-important molecule. The work is, thus, having a broad impact as it reveals the basis of phenomena in many other fields of science. The work is having an additional broad impact through the PI's participation in outreach activities to under-represented minorities and the development of a traveling road show on water.