The H-Pd···N-H metal-ligand dual-atom sites synergistically catalyzed alkyne semi-hydrogenation with complete Z-selectivity.

ABSTRACT: In single-atom catalysts, the coordination microenvironment surrounding transition-metal centers is widely recognized as a key factor shaping their electronic structures and geometries, thereby governing catalytic behaviors. However, the synergetic catalysis between metal center and ligating atoms remains underexplored in single-atom catalysis. Herein, we construct the Pd(II)-N₄ sites on carbon nitride to achieve photocatalytic semi-hydrogenation of alkynes. Under light irradiation, the Pd-N sites could transform to H-Pd···N-H moieties. The Pd-H center enhances alkyne insertion while the adjacent N-H group facilitates intramolecular proton transfer. This metal-ligand cooperativity of H-Pd···N-H sites, together with the steric-hindrance imposed by carbon nitride scaffold, lowers

SUBMITTER: Ma H 

PROVIDER: S-EPMC12932699 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature