Zeolite H-ZSM-5 as a pseudo-transition metal: Calculations on the bonding of carbene to a zeolite model

Abstract SCF-LCAO-MO ab initio calculations were performed to calculate the energy of bonding of CH 2 in a structure that simulates the interior of an acidic zeolite. The bonding is sufficiently strong to suggest that CH 2 could be an intermediate in the Mobil methanol-to-gasoline process.