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  • Title: Bio-inspired computational design of iron catalysts for the hydrogenation of carbon dioxide.
    Author: Yang X.
    Journal: Chem Commun (Camb); 2015 Aug 25; 51(66):13098-101. PubMed ID: 26186244.
    Abstract:
    Inspired by the active site structure of monoiron hydrogenase, a series of iron complexes are built using experimentally ready-made acylmethylpyridinol and aliphatic PNP pincer ligands. Density functional theory calculations indicate that the newly designed iron complexes are very promising to catalyze the formation of formic acid from H2 and CO2.
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