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Updated: Aug 30, 2025

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
A Versatile Palladium Synthon: [Pd(NHC)(PhC≡CPh)]
Francis Bru1, Mathieu Lesieur2, Albert Poater3
1Department of Chemistry, Center for Sustainable Chemistry, Ghent University, Krijgslaan 281, 9000, Ghent, Belgium.
New palladium(0) complexes featuring N-heterocyclic carbene (NHC) ligands enable access to novel palladium species and catalyze allene hydrosilylation. These findings advance organometallic chemistry and catalytic applications.
Area of Science:
- Organometallic Chemistry
- Catalysis
Background:
- Palladium complexes are crucial in catalysis.
- Development of novel ligands and complexes is ongoing.
Purpose of the Study:
- Synthesize and characterize new 14-electron palladium(0) complexes with NHC and diphenylacetylene ligands.
- Explore their utility as synthons for other palladium species.
- Investigate their application in the catalytic hydrosilylation of allenes.
Main Methods:
- Synthesis and isolation of [Pd(NHC)(PhC≡CPh)] complexes.
- Catalytic hydrosilylation reactions.
- Density Functional Theory (DFT) calculations for electronic structure analysis.
Main Results:
- Successful synthesis of 14-electron Pd(0)-NHC-alkyne complexes.
- Demonstrated utility as precursors to Pd(0) and Pd(II) species.
- Access to unprecedented mixed NHC-phosphite palladium(0) complexes.
- Facile catalytic hydrosilylation of allenes achieved.
- DFT revealed weak metal-alkyne interaction.
Conclusions:
- The reported palladium(0) complexes are versatile synthons.
- The NHC-alkyne motif facilitates allene hydrosilylation.
- Understanding ligand interactions is key for catalyst design.
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