Excess protons in aqueous media are important in a wide range of biological, chemical, and geochemical processes. However, our understanding of the nature of excess protons in aqueous solution is far from complete. Recent vibrational predissociation spectroscopic studies of size-selected and temperature-controlled protonated water clusters have provided considerable information on the spectral signatures of an excess proton in various hydrogen-bonding environments.[1,2] In this talk, I summarize recent experimental work in this area and present the results of calculations to elucidate the factors responsible for the large red shifts of the hydronium OH stretch frequencies brought about by hydration. References: [1] J. A. Fournier, C. J. Johnson, C. T. Wolke, G. H. Weddle; A. B. Wolk, and M. A. Johnson, Science 344, 1009 (2014); [2] K. D. Jordan, T. T. Odbadrakh, C T. Wolke, J. A. Fournier, M. A. Johnson, S. M. Kathmann, and S. S. Xantheas, J. Phys. Chem. A, 119, 9425 (2015).

Vibrational spectral signatures of an excess proton in water clusters

251st National Meeting (2016)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.