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Exploring the Catalytic Potential of ZIF-90: Solventless and Co-Catalyst-Free Synthesis of Propylene Carbonate from
Jose Tharun1, George Mathai2, Amal Cherian Kathalikkattil1
1Division of Chemical and Biomolecular Engineering, Pusan National University, Busan 609-735 (Korea), Fax: (+82) 51-512-8563.
Abstract:
Reported is the application of ZIF-90, which is a highly porous zeolitic imidazolate framework, as a novel catalyst for the cycloaddition of propylene oxide (PO) with CO2 in the absence of co-catalysts and solvents under moderate reaction conditions. The effects of various reaction parameters were investigated. The activity of ZIF-90 was compared with that of various metal-organic-framework (MOF)-based catalysts for the cycloaddition of PO with CO2 . Density functional theory calculations elucidated the role of ZIF-90 in creating a favorable environment for the PO-CO2 cycloaddition reaction. A reaction mechanism for the ZIF-90-catalyzed PO-CO2 cycloaddition on the basis of DFT calculations is proposed and the regeneration of ZIF-90 is discussed.
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