New η3-Allylpalladium Complexes with Pyridylpyrazole Ligands : Synthesis, Characterization and Study of the Influence of N1 Substituents on the Apparent Allyl Rotation
Montoya García, Vanessa (Universitat Autònoma de Barcelona. Departament de Química)
Pons Picart, Josefina (Universitat Autònoma de Barcelona. Departament de Química)
García-Antón, Jordi (Universitat Autònoma de Barcelona. Departament de Química)
Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química)
Font-Bardia, Mercè (Universitat de Barcelona. Unitat de Difracció de Raig-X)
Ros i Badosa, Josep (Universitat Autònoma de Barcelona. Departament de Química)

Date:	2007
Abstract:	The allylpalladium [Pd(η3-C3H5)(L)](BF4) (L = L1 (1), L2 (2), L3 (3), L4 (4)) complexes with pyridylpyrazole ligands 2-(5-phenyl-1H-pyrazol-3-yl)pyridine (L1), 2-(1-ethyl-5-phenyl-1H-pyrazol-3-yl)pyridine (L2), 2-(1-octyl-5-phenyl)-1H-pyrazol-3-yl)pyridine (L3), and 2-(5-phenyl-3-(pyridin-2-yl)pyrazol-1-yl)ethanol (L4) were synthesized from the appropriate pyridylpyrazole ligand and [Pd(η3-C3H5)Cl]2 in the presence of AgBF4. The cationic complex 1 was converted into the neutral complex 5 under basic conditions. These complexes were characterized, and the crystal and molecular structure of [Pd(η3-C3H5)(L2)](BF4) (2) was resolved by X-ray diffraction. Also, we have studied the apparent allyl rotation, observed as Hsyn−Hsyn and Hanti−Hanti interconversions. The influences of the solvent, the traces of water, and the N1 substituent have also been studied.
Grants:	Ministerio de Educación y Cultura BQU2003-03582
Rights:	Tots els drets reservats.
Language:	Anglès
Document:	Article ; recerca ; Versió sotmesa a revisió
Subject:	Allyl group ; Ligands ; Nitrogen ; Nuclear magnetic resonance spectroscopy ; Solvents
Published in:	Organometallics, Vol. 26, Issue 13 (June 2007) , p. 3183-3190, ISSN 1520-6041

DOI: 10.1021/om070093u

Preprint 35 p, 1.3 MB

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