Design of New Catalysts and Reagents for Site-Selective Reaction of C-H Bonds

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Organic molecules are typically encased in a layer of carbon-hydrogen (C-H) bonds that are relatively strong and unreactive. There are chemical processes that have the ability to break these bonds and make new bonds between carbon and other elements. However, it is challenging to control such reactions so only a single one of these stable C-H bonds is broken. While there has been good progress using many parallel approaches many, if not most, C-H bonds cannot be broken in a predictable and targeted way. If we had such an ability, it would transform the creation of new organic molecules. From pharmaceuticals and biological probes to polymers and printed electronics, every field of science that requires custom-made organic molecules could benefit from technology such as this. In this proposal, we have identified new strategies that make it possible to predictably react several particular kinds of C-H bonds that were difficult or impossible to selectively target before. We envision that end users ranging from materials scientists working in industry to medical researchers working in academia will benefit from the tools we will provide. Our expertise and focus is in new catalyst development. To maximize the impact of the resources provided to us, we will use established techniques of machine learning. This will provide a breadth of skills to highly qualified personnel that will go on to contribute to Canadian society in whatever future paths they choose.