Combined covalent bond breaking and bond rearrangement chemistry at metal nanoparticle surfaces, and acid-based chemistry caused by charge flow at oxide-metal interfaces, control turnover rates and selectivities in most heterogeneous catalytic reactions.  The metal nanoparticle size and shape dependence in hydrocarbon conversion, such as methyl cyclopentane, furfural and crotonaldehyde, shows the domination of the covalent chemistry route.  The participation of transition metal, oxide-metal interfaces in the catalytic chemistry, which produces electron flow and changes in oxidation states in the oxide, causes additional changes in the catalytic selectivity and turnover rates.  Studies of catalyst characterization under reaction conditions by sum frequency generation (SFG) vibrational spectroscopy and synchrotron-based X-ray spectroscopies permit us to monitor changes in oxidation states, reaction intermediates and correlate them with turnover rates and selectivities.

Atomic scale foundations of covalent and acid-base catalysis in reaction selectivities and turnover rates

247th National Meeting (2014)

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