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Exploring the Catalytic Potential of ZIF‐90: Solventless and Co‐Catalyst‐Free Synthesis of Propylene Carbonate from Propylene Oxide and CO 2
Author(s) -
Tharun Jose,
Mathai George,
Kathalikkattil Amal Cherian,
Roshan Roshith,
Won YongSun,
Cho Sung June,
Chang JongSan,
Park DaeWon
Publication year - 2015
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.201402395
Subject(s) - cycloaddition , propylene carbonate , catalysis , propylene oxide , zeolitic imidazolate framework , imidazolate , oxide , chemistry , density functional theory , reaction mechanism , metal organic framework , inorganic chemistry , organic chemistry , computational chemistry , adsorption , polymer , ethylene oxide , electrode , copolymer , electrochemistry
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 CO 2 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 CO 2 . Density functional theory calculations elucidated the role of ZIF‐90 in creating a favorable environment for the PO–CO 2 cycloaddition reaction. A reaction mechanism for the ZIF‐90‐catalyzed PO–CO 2 cycloaddition on the basis of DFT calculations is proposed and the regeneration of ZIF‐90 is discussed.