Theoretical study on the influence of ZSM-5 zeolite with different structures for methanol to aromatics

Carbocation chemistry confined in zeolites: spectroscopic and theoretical characterizations

“…17b. 35,[214][215][216][217][218] The UV-vis absorption bands at 330-375 nm were assigned to the alkyl side chain carbenium ions (up to four alkyl) or neutral polyaromatics, but direct experimental verification of the chemical formula of the chain carbenium ions is still lacking. Therefore, theoretical exploration of the chain carbenium ions in the alkene cycle of the MTO process is the major way to understand the interrelation among the zeolite porous structure, product selectivity, yield, etc.…”