November 1, 2007
Journal Article

Inductive Effect of Alkyl Chains on Alcohol Dehydration at Bridge-Bonded Oxygen Vacancies of TiO2(110)

Abstract

Reactivity of adsorbates with titania is typically influenced by the presence of surface oxygen vacancy defects. For alcohols, it is well-established that their dissociation on bridge-bonded oxygen vacancies (BBOV’s) of a prototypical TiO2(110) surface proceeds via heterolytic cleavage of the RO—H bond. The resulting intermediates are alkoxide (RO) that fills the vacancy and a proton that binds to a neighboring oxygen anion. Except for methoxide, these alkoxides dehydrate at elevated temperatures (well above 300 K) via ß–hydride elimination to form alkenes.In some cases, the dehydration is accompanied by a minority dehydrogenation channel yielding aldehydes.

Revised: April 7, 2011 | Published: November 1, 2007

Citation

Kim Y., B.D. Kay, J.M. White, and Z. Dohnalek. 2007. Inductive Effect of Alkyl Chains on Alcohol Dehydration at Bridge-Bonded Oxygen Vacancies of TiO2(110). Catalysis Letters 119, no. 1-2:1-4. PNNL-SA-54909. doi:10.1007/s10562-007-9199-1