Homogeneous Catalysts for the Production of Monomers for Sustainable Polymers from CO2 and Diols

1) Initial focus on the development of catalysts for CO2 and diol coupling to form 6 membered cyclic carbonates.
2) Develop catalytic protocols for other small molecule coupling e.g. CS2
3) Develop catalysts for ring opening polymerisation reactions
Building on previously published results from the Buchard laboratory, the initial research will aim to develop a catalytic protocol for the coupling of carbon dioxide with 1,3 diols to form cyclic carbonates. It is hoped this will be achieved through utilisation of a frustrated Bronsted base: Lewis acid pair strategy. A bilateral experimental and computational approach will be adopted, by supplementing practical data with DFT calculations. Such calculations will be used to inform further study within the laboratory.
Once achieved, research will be undertaken to elucidate the mechanistic pathway of the cyclisation step of the reaction. Intelligent catalyst design may allow for tuned direction of the cyclisation step, potentially leading to formation of previously inaccessible cyclic carbonate monomers.
In addition, it is hoped the catalytic strategy as applied to CO2 and diol coupling may also find application with other, cyclisation reagents (e.g. carbon sulphide, silanes, carbonyl sulphide etc).
Alongside this, studies into novel catalytic systems for polymerisation reactions will be undertaken (organocatalysts and metal complexes), including investigation into switchable catalysts and immobilisation on surfaces for flow applications.