We compare theoretical simulations with the results of broad-band heterodyne detected SFG (HD-SFG) spectroscopy experiments conducted at the air/deuterated water interface in the dangling OD-stretch spectral region.  Our experimental study of the dynamics of the OD-stretch included polarization-dependent and isotope dilution measurements which recovered both phase and amplitude of the SFG signals.  The theoretical part utilizes mixed quantum/classical expressions for the SFG response which also include the results of motional narrowing.  Comparison of the theoretical and the experimental results reveals new insights on effects of intramolecular coupling, hydrogen bond dynamics, and the extent of the exciton wave function delocalization at the interfacial region.

Dynamics at the air/deuterated water interface: Theory and experiment

240th National Meeting (2010)

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