Terpenes and their oxidation products are important precursors for the formation of atmospheric aerosol particles but their vibrational spectroscopy is only poorly understood, thus curtailing our understanding of aerosol particle formation mechanisms. Here, we compare experimental vibrational sum frequency generation (SFG) spectra of terpenes and their oxidation products in contact with optical windows with those computed by DFT and MD simulations. We discuss the results in the context of vibrational energy flow, non-normal modes, molecular orientation distributions, and implications for the radiative properties of the atmosphere. This work combines experimental and theoretical work from PNNL, Yale, and Northwestern.

Vibrational sum frequency generation spectra of terpenes and their oxidation products from theory and experiment

248th National Meeting (2014)

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