QUANTUM CHEMICAL INVESTIGATION OF METHOXYBENZENE TRANSFORMATION TO ORTHO-, META- AND PARA-METHYLPHENOLS OVER ACIDIC FAUJASITE ZEOLITE: A MECHANISTIC STUDY

摘要

Zeolites are one of the most versatile catalysts used in the petrochemical processing industry. One of the major properties which can promote a diverse range of catalytic reactions including acid-base and metal induced reactions. Moreover, zeolites, with their shape-selective properties, are the preferred choice for the realization of the desired end products. It is industrially relevant that zeolites have been found to be environmentally friendly and are, therefore, considered as green chemistry and they contribute towards the reduction of global warming. Faujasite zeolite, in particular, is attributed as one of the major catalysts used in petrochemical industries. Its protonic form has been found to be a significant active constituent for the catalytic cracking of hydrocarbons . In addition, its supercage with a diameter of approximately 13 A enables it to operate in the same manner as a nanoreactor for the reactions of bulky molecules, including the alkylation of phenol and its family members.