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[JACS] Prof. Jun Cheng, Cheng Wang and Wenbin Lin published a paper entitled "Molecular Iridium Complexes in Metal-Organic Frameworks Catalyze CO2 Hydrogenation via Concerted Proton and Hydride Transfer"

2017-11-29

Title:Molecular Iridium Complexes in Metal-Organic Frameworks Catalyze CO2 Hydrogenation via Concerted Proton and Hydride Transfer

Authors: Bing An, Lingzhen Zeng, Mei Jia, Zhe Li, Zekai Lin, Yang Song, Yang Zhou, Jun Cheng, Cheng Wang, and Wenbin Lin

Abstract:

Molecular iridium catalysts immobilized in metal-organic frame-works (MOFs) were positioned in the condensing chamber of a Soxhlet extractor for efficient CO2 hydrogenation. Droplets of hot water seeped through the MOF catalyst to create dynamic gas/liquid interfaces which maximize the contact of CO2, H2, H2O, and the catalyst to achieve a high turnover frequency of 410 h-1 under atmospheric pressure and at 85 oC. H/D kinetic isotope effect measurements and density functional theory calculations revealed concerted proton-hydride transfer in the rate-determining step of CO2 hydrogenation, which was difficult to unravel in homogeneou reactions due to base-catalyzed H/D exchange.

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Full-Link: http://pubs.acs.org/doi/10.1021/jacs.7b10922