O-W-Seg-2 Structure/Function Relationships and Thermodynamic Descriptors for Catalytic Activity of Alcohols with MO3 (M=W,Mo) Based Materials

Wednesday, June 5, 2013: 10:00 AM
Segell (Galt House Hotel)
Roger Rousseau1, Zdenek Dohnalek1, David Dixon2, Bruce D. Kay1, Zhenjun Li1, Yu Kwon Kim1, Zongtang Fang2 and Mathew Kelley2, (1)Pacific Northwest National Laboratory, USA, (2)University of Alabama, USA.
Combined theory/experimental studies of MO3 (M=W, Mo) catalysts on a variety of support materials find that dioxo species are the prefered reactive sites for alcohol dehydration and, owing to its stronger lewis acidity, W is more active for dehydration whereas, ease of reducibility makes Mo  more active for dehydrogenation.

Extended Abstracts: