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.
Dimethyl carbonate in the supercages of NaY zeolite: The role of local fields in promoting methylation and carboxymethylation activity
BONINO, Francesca Carla;DAMIN, Alessandro Ali;BORDIGA, Silvia;ZECCHINA, Adriano
2005-01-01
Abstract
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.
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