Accelerated Development of Cat@MOF catalysts for Industrially Relevant Hydrogenation

催化氢化具有广泛的工业应用，据估计，目前在化学品生产中使用的所有反应的10-20%是催化氢化。该项目的目标是一个新的Cat@MOF催化剂系列，用于这些重要的转化，基于将均相加氢催化剂（Cat）掺入非均相金属有机骨架（MOF）材料的孔隙中。这些构建体已经显示出在改进的活性、更好的/替代的选择性和易于使用/分离方面具有优于现有催化剂的显著益处。将通过将现有的均相氢化催化剂与众所周知的等网格MOF家族（其中金属和有机连接体可以容易地改性，同时保持相同的MOF拓扑结构和结构）组合来组装Cat@MOF材料的大型新型库。这些新催化剂将使用自动化高通量方法进行初步筛选和优化。性能最好的Cat@MOF材料将被升级并构建到新的流动反应器中，初步研究重点是将其应用于生物衍生和废物原料（如乙酰丙酸和二氧化碳）的氢化，以产生增值化学品。

Catalytic hydrogenations have widespread industrial applications, and it is estimated that 10-20% of all reactions used today in the production of chemicals are catalytic hydrogenations. This project targets a new family of Cat@MOF catalysts for these important transformations, based upon the incorporation of homogeneous hydrogenation catalysts (Cat) into the pores of heterogeneous metal organic framework (MOF) materials. These constructs have been shown to possess significant benefits over existing catalysts in term of improved activity, better/alternative selectivity, and ease-of-use / separation. A large novel library of Cat@MOF materials will be assembled by combining existing homogeneous hydrogenation catalysts with well-known isoreticular MOF families (in which the metal and organic connectors can be readily modified whilst maintaining the same MOF topology and structure). These new catalysts will be initially screened and optimised using automated high throughput methodology. The best performing Cat@MOF materials will be upscaled and built into new flow reactors, with initial studies focusing upon their application for the hydrogenation of bio-derived and waste feedstocks such as levulinic acid and carbon dioxide to yield value-added chemicals.