Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 2011-06-16

Thermal and electron-induced decomposition of 2-butanol on Pt(111).

Xiaofeng Hu, Richard A Rosenberg, Michael Trenary

Index: J. Phys. Chem. A 115(23) , 5785-93, (2011)

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Abstract

The adsorption, thermal evolution, and electron irradiation of 2-butanol on Pt(111) were investigated with reflection absorption infrared spectroscopy (RAIRS). A simulated vibrational spectrum of a single 2-butanol molecule was calculated using density functional theory to facilitate vibrational assignments. Exposures of 0.2 Langmuir (L) and lower result in both isolated 2-butanol molecules with minimal lateral interactions and hydrogen-bonded clusters. The thermal evolution following a 4.0 L exposure shows that the hydrogen-bonded multilayer desorbs around 170 K, leaving a 2-butanol monolayer where hydrogen bonding still exists. At 190 K, a new feature at 1699 cm(-1) is attributed to the formation of butanone. Irradiation with 750 or 100 eV electrons leads to 2-butanol desorption and partial conversion to butanone, as indicated by the appearance of a peak at 1709 cm(-1).© 2011 American Chemical Society