Dimethyl carbonate in the supercages of NaY zeolite: The role of local fields in promoting methylation and carboxymethylation activity

Ab initio calculations and in situ IR experiments, afford, in a simple and direct manner, a reasonable explanation why NaY is a useful catalyst for methylation and carboxymethylation reactions with Dimethyl carbonate (DMC). The role of polarization forces associated with the Na+ counterions that are present in the restricted spaces of the supercages in DMC activation is also clearly demonstrated.