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A Versatile Palladium Synthon: [Pd(NHC)(PhC≡CPh)]** |
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| Authors: | Francis Bru Dr Mathieu Lesieur Dr Albert Poater Prof Dr Alexandra M Z Slawin Prof Dr Luigi Cavallo Prof Dr Catherine S J Cazin |
| Institution: | 1. Department of Chemistry, Center for Sustainable Chemistry, Ghent University, Krijgslaan 281, 9000 Ghent, Belgium;2. EaSTCHEM School of Chemistry, University of St Andrews, St Andrews, Fife, KY16 9ST UK
Contribution: Investigation (equal);3. Institut de Química Computacional i Catàlisi, Departament de Química, Universitat de Girona, c/ Maria Aurèlia Capmany 69, 17003 Girona, Catalonia, Spain;4. EaSTCHEM School of Chemistry, University of St Andrews, St Andrews, Fife, KY16 9ST UK;5. KAUST Catalysis Center, Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal, 23955-6900 Saudi Arabia |
| Abstract: | The synthesis and isolation of Pd(NHC)(PhC≡CPh)] complexes are reported. These new 14-electron Pd(0)-complexes are key synthons leading to known palladium(0) and palladium(II) species, as well as permitting access to unprecedented mixed NHC-phosphite palladium(0) complexes. This motif permits the facile catalytic hydrosilylation of allenes. DFT calculations have allowed the characterization of the relatively weak interaction between the metal and the diphenylacetylene ligand, with a comparison with a series of ligands with more or less coordinating power, bearing varied structural and electronic properties. |
| Keywords: | alkyne ligands carbene ligands homogeneous catalysis hydrosilylation palladium |