Designing and refining Ni (II) diimine catalysts toward the controlled synthesis of electron-deficient conjugated polymers

article

2013

Journal of the American Chemical Society

135

35

13212

13219

Electron-deficient π-conjugated polymers are important for organic electronics, yet the ability to polymerize electron-deficient monomers in a controlled manner is challenging. Here we show that Ni(II)diimine catalysts are well suited for the controlled polymerization of electron-deficient heterocycles. The relative stability of the calculated catalyst–monomer (or catalyst-chain end) complex directly influences the polymerization. When the complex is predicted to be most stable (139.2 kJ/mol), these catalysts display rapid reaction kinetics, leading to relatively low polydispersities (∼1.5), chain lengths that are controlled by monomer:catalyst ratio, controlled monomer consumption up to 60% conversion, linear chain length growth up to 40% conversion, and ‘living’ chain ends that can be readily extended by adding more monomer. These are desirable features that highlight the importance of catalyst design for the synthesis of new conjugated polymers.

10.1021/ja4073904

0002-7863

Final article published

American Chemical Society

Peer reviewed

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©2013. American Chemical Society.