Zenfolio | D. Balcells Research :: Computational Chemistry | Computational and experimental design of new palladium indenyl cross-coupling catalysts

Computational and experimental design of new palladium indenyl cross-coupling catalysts

May 07, 2015  •  Leave a Comment

In collaboration with the group of Prof. Hazari at Yale (USA), we have developed a new palladium catalyst based on the 1-tert-butyl-indenyl ligand. This complex has two key properties: 1) Fast activation by formal reduction to Pd(0)-L (L = NHC) and 2) Endoergic dimerization. Both features enhance catalytic activity and robustness, which are amongst the highest reported to date. This catalyst is already commercially available from Strem Chemicals, Aspira Scientific and Sigma-Aldrich. More detailed information is available from this article recently published in ACS Catalysis.


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