Fig. 5: Schematic overview of the working mechanisms for the selective hydrogenolysis of DPE and selective hydrogenation of acetylene over a catalyst coordinated with alkenyl carbon. | Nature Communications

Fig. 5: Schematic overview of the working mechanisms for the selective hydrogenolysis of DPE and selective hydrogenation of acetylene over a catalyst coordinated with alkenyl carbon.

From: Tuning hydrogenation chemistry of Pd-based heterogeneous catalysts by introducing homogeneous-like ligands

Fig. 5: Schematic overview of the working mechanisms for the selective hydrogenolysis of DPE and selective hydrogenation of acetylene over a catalyst coordinated with alkenyl carbon.

Pd facilitates the completion of C–O bond cleavage on Fe sites and tends to hydrogenate the sp2-hybridized carbon (Surface Chemistry #1). Coordinative alkenyl-type carbon species on Pd tailor the electronic structure of Pd and/or sterically inhibits the adsorption of DPE and ethene, leading to weakened interaction between Pd and sp2-hybridized carbon to inhibit deep hydrogenation (Surface Chemistry #2). Pd, Fe, C, O, and H atoms are depicted in blue, white/large, gray, red, and white/small, respectively.

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