Construction of hybrid ionic liquid‐catalysts for the highly effective conversion of H2S by nitriles into thioamides

Abstract Described herein presents a kind of multisite hybrid ionic liquid‐catalysts and establishes a novel strategy for H 2 S utilization, which has been characterized by multiaspects to reveal internal structural characterization. Through chemical modification, the D101‐based hybrid ILs were used for the direct synthesis of thioamides from the addition of H 2 S and nitriles. D101‐[PMDETA][DMG] can achieve an impressive activity of quantitative conversion for benzonitrile. Reaction kinetics, adsorption thermodynamics, substrate universality, and catalyst cycling experiments have been systematically studied. A first‐order kinetic model was constructed and studied experimentally for the reaction of nitriles with H 2 S to produce thioamides. The internal mechanism was proposed through experiments and confirmed by DFT‐based theoretical calculations. Moreover, D101‐based hybrid ILs can be easily recovered, thus completing the cyclic process of thioamide multiplication. This work not only offers an effective method for the construction of organic‐inorganic hybrid materials but also provides a novel insight into efficient H 2 S conversion.