P-Tu-Cle-14 Understanding the Factors that Control Acid Catalyzed Methyl Transfer Reactions in Zeolites

Tuesday, June 4, 2013
Clements (Galt House Hotel)
Craig Plaisance, Rado Raharintsalama and Matthew Neurock, University of Virginia, USA.
Density functional theory was used to examine the mechanisms of acid catalyzed reactions involving transfer of a methyl cation to a nucleophile occurring inside a zeolite.  A correlation was developed between the intrinsic activation barrier and the methyl affinity of the nucleophile.

Extended Abstracts: