Abstract
The best catalysts are homogeneous platinum-group metal-based catalysts. The problem is the scarcity of the metal and the non-reusability of homogeneous catalysts. This raises the challenge of developing an efficient, reusable catalyst. Pd can be replaced with a different transition metal to reduce its use in catalysis. However, other transition metals don't have as much catalytic activity as Pd. In addition, it is impossible to completely abolish Pd because some reactions work only with it. Therefore, immobilizing homogeneous catalysts is the best available option for sustainable resource management. We propose to immobilize a small homogeneous catalyst into a porous structure. Three synthetic strategies will immobilize five different pincers inside a MOF, either by pre- or post-synthetic functionalization. This would take advantage of the MOF's porosity as a substrate, yet retain the efficiency of homogeneous catalysts. In this way, we have the promise of an efficient and recyclable catalyst for cross-coupling reactions, with improved TON and less Pd leaching. Through computational chemistry, we will model the Pd leaching and try to elucidate the catalytic mechanism. For this catalyst to be viable, it must be scalable. We must overcome the mass and energy transfer problems associated with the immobilized catalyst, and therefor propose to integrate them into a continuous flow reactor.
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