OE10 Effects of Acid Strength and of Solvation by Confinement on Reactivity and Selectivity in Acid Catalysis

Monday, June 6, 2011: 2:10 PM
Ambassador Ballroom 2 (Detroit Marriott Hotel at the Renaissance Center )
Robert T. Carr, Chemical Engineering, University of California at Berkeley, Berkeley, CA, Matthew Neurock, Chemical Engineering and Chemistry, University of Virginia, Charlottesville, VA and Enrique Iglesia, Department of Chemical Engineering, University of California Berkeley, Berkeley, CA
This study provides a consistent description of how reactions sense acid strength and confinement separately and prescribes a framework to rigorously analyze their effects.  Specifically, charges at relevant reactants and transition states and their relative stabilization by van der Waals forces determine the effects of acid strength and confinement, respectively.

Extended Abstracts: