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Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki-Heck coupling reaction.

ABSTRACT: New palladium(0) and palladium(ii) complexes with N-heterocyclic carbene (NHC) ligands derived from nitron and its derivatives were synthesized. The structures of most of these complexes were established by single-crystal X-ray diffraction studies. Among the new complexes, the palladium complex with a monodentate NHC ligand derived from nitron demonstrated the highest efficacy as a catalyst precursor in the Mizoroki-Heck coupling reaction of aryl chlorides with alkenes. Theoretical calculations provide valuable insights into the electronic parameters of both the ligands and the palladium complexes, highlighting the significance of a robust Pd-C bond and the π-accepting property of the NHC ligand in achieving enhanced catalytic activity. Notably, catalyst activation occurred much more rapidly with the preformed palladium(0) complex compared to its palladium(ii) counterpart.

SUBMITTER: Lee MY 

PROVIDER: S-EPMC10498360 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature

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Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki-Heck coupling reaction.

Lee Ming-Yi MY   Liao Chih-Hsiang CH   Hung Hsiu-Yu HY   Lee Jhen-Yi JY   Lee Hon Man HM  

RSC advances 20230913 39

New palladium(0) and palladium(ii) complexes with <i>N</i>-heterocyclic carbene (NHC) ligands derived from nitron and its derivatives were synthesized. The structures of most of these complexes were established by single-crystal X-ray diffraction studies. Among the new complexes, the palladium complex with a monodentate NHC ligand derived from nitron demonstrated the highest efficacy as a catalyst precursor in the Mizoroki-Heck coupling reaction of aryl chlorides with alkenes. Theoretical calcul  ...[more]

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