Catalyst controlled site selectivity in carbon and hydrogen bond functionalization reactions

What is it about?

In chemistry, a carbon (C) and hydrogen (H) bond functionalization reaction is one where the H atom in a C and H bond is replaced with a different atom or group of atoms. These reactions need catalysts to activate the C and H bond. But, catalysts attached to different groups of atoms can switch the site of the reaction. This study investigates the control that a catalyst has over site selectivity. The authors looked at why adding different groups to a palladium catalyst changes the site of C and H bond activation. In particular, they looked at the alkenylation reaction of thiophenes. Using palladium attached to two different groups as catalysts, the authors examined the transition states and the pathways taken by the reactions. They found that a change in the step determining the site selectivity changes the site of C and H bond activation.

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Photo by Michal Matlon on Unsplash

Photo by Michal Matlon on Unsplash

Why is it important?

A vast variety of chemicals can be produced by controlling the site of C and H bond functionalization reactions. This selectivity can be achieved using catalysts that favor certain sites to activate the C and H bond. To obtain the desired products, it is important to understand the different stages that occur in these reactions. By studying the products formed at each step of the reaction, this study reveals the source of site selectivity in these reactions. KEY TAKEAWAY: Multiple C and H bonds are present in organic compounds. By controlling the site of the bonds that take part in the reaction, a variety of chemical compounds can be produced. This will help produce a variety of compounds just by changing the groups attached to a catalyst.