Group recognition hydrogenation: From concept to application

Catalytic hydrogenation plays a vital role in the production of both bulk and fine chemicals. In cases where multiple reducible functional groups are present in the reactants, selective hydrogenation of specific groups is required to produce high-value chemicals. Due to the lack of in-depth understanding of the interaction between the active sites of catalysts and functional groups, achieving targeted hydrogenation conversion remains highly challenging. Some catalysts sacrifice activity for relatively higher selectivity. To address this issue, a new concept called “group recognition hydrogenation” has been proposed, providing a different perspective for the rational design of hydrogenation catalysts. The new concept aims to achieve targeted activation or recognition response of catalysts towards the target functional groups, while demanding that the enhancement of reaction selectivity does not come at the expense of activity. This paper reviewed several strategies to achieve this goal. Firstly, regulation can be achieved from the energy space by adjusting the orbital symmetry and energy level matching between the catalyst active sites and the target functional groups. Secondly, control can also be achieved from the physical space, such as by adjusting the catalyst’s geometric structure to improve its activity, selectivity, and stability. In addition, regulating the reaction microenvironment to achieve group recognition adsorption and activation was another effective option. Catalysts designed based on the “group recognition hydrogenation” concept demonstrated excellent hydrogenation performance in several challenging hydrogenation reactions, showing significant industrial application value. Finally, orthogonal decomposition was employed to decouple electronic and geometric effects, providing a methodological foundation for the quantitative analysis of the above strategies. © 2023 Chemical Industry Press. All rights reserved.