Please use this identifier to cite or link to this item: http://dspace.iitrpr.ac.in:8080/xmlui/handle/123456789/4067
Title: Strategic Design of Mg-Centered Porphyrin Metal−Organic Framework for Efficient Visible Light-Promoted Fixation of CO2 under Ambient Conditions: Combined Experimental and Theoretical Investigation
Authors: Das, R.
Manna, S.S.
Pathak, B.
Nagaraja, C.M.
Keywords: sunlight-promoted catalysis
Mg(II)−porphyrin MOF
CO2 fixation
cyclic carbonates
chlorophyll
Issue Date: 26-Sep-2022
Abstract: The sunlight-driven fixation of CO2 into valuable chemicals constitutes a promising approach toward environmental remediation and energy sustainability over traditional thermal-driven fixation. Consequently, in this article, we report a strategic design and utilization of Mg-centered porphyrin-based metal− organic framework (MOFs) having relevance to chlorophyll in green plants as a visible light-promoted highly recyclable catalyst for the effective fixation of CO2 into value-added cyclic carbonates under ambient conditions. Indeed, the Mg-centered porphyrin MOF showed good CO2 capture ability with a high heat of adsorption (44.5 kJ/mol) and superior catalytic activity under visible light irradiation in comparison to thermal-driven conditions. The excellent light-promoted catalytic activity of Mg−porphyrin MOF has been attributed to facile ligand-to-metal charge transfer transition from the photoexcited Mg−porphyrin unit (SBU) to the Zr6 cluster which in turn activates CO2, thereby lowering the activation barrier for its cycloaddition with epoxides. The in-depth theoretical studies further unveiled the detailed mechanistic path of the light-promoted conversion of CO2 into high-value cyclic carbonates. This study represents a rare demonstration of sunlight-promoted sustainable fixation of CO2, a greenhouse gas into value-added chemicals
URI: http://localhost:8080/xmlui/handle/123456789/4067
Appears in Collections:Year-2022

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