Preparation of Imidazol‐2‐ylidene Carbene Palladacycles with Bi‐ and Tridentate Schiff Bases – Analyses of the Spectroscopic, Molecular Structure, and DFT Calculation Data. Issue 3 (23rd December 2015)

• Record Type: Journal Article
• Authors: Naya, Leticia; Vázquez‐García, Digna; Fernández, Alberto; López‐Torres, Margarita; Ojea, Vicente; Marcos, Ismael; Vila, José M.; Fernández, Jesús J.
• Is Part Of: European journal of inorganic chemistry. Issue 3(2016)
• Page Start: 422
• Page End: 431
• Publication Date: 2015-12-23
• Subjects: Palladium -- Metallacycles -- Carbene ligands -- Schiff bases; Chemistry, Inorganic -- Periodicals; Organometallic chemistry -- Periodicals; Bioinorganic chemistry -- Periodicals; Solid state chemistry -- Periodicals; 546
• DOI: 10.1002/ejic.201501067
• Languages: English
• ISSNs: 1434-1948

Abstract

Abstract: The treatment of appropriate benzylideneimine palladacycles with potentially polydentate imidazol‐2‐ylidene silver carbene complexes produced new palladium organometallics with the N‐heterocyclic carbene (NHC) coordinated to the palladium center. The NHCs bearing two carbene moieties show a bridging coordination mode across the two metal atoms and may also display a simultaneous bridging/chelating behavior. DFT calculations were performed for the compounds for which the typical fluxional behavior of hemilabile carbenes was observed upon close inspection of the 1 H NMR spectra. The crystal and molecular structure of13 was determined by X‐ray crystallography and contrasted against the computational data for14 to determine the most favorable disposition of the fluxional equilibrium of the latter. Abstract : The spectroscopic information, crystal and molecular analysis, and DFT calculation data for imidazol‐2‐ylidene carbene palladacycles with bi‐ and tridentate Schiff base ligands are thoroughly reviewed, and the fluxional behavior of the complexes bearing hemilabile carbenes is considered.