Asymmetric and symmetric triazenido cyclopalladated complexes: Synthesis, structural analysis and DFT calculations

• Published in: Journal of molecular structure 2015-03, Vol.1083, p.311-318
• Main Authors: Härter Vaniel, Ana Paula, Mauro, Antonio Eduardo, de Godoy Netto, Adelino Vieira, de Almeida, Eduardo Tonon, Piquini, Paulo Cesar, Zambiazi, Priscilla, Back, Davi Fernando, Hörner, Manfredo
• Format: Article
• Language: English
• Subjects: Asymmetry; Bonding strength; Cyclopalladated complex; Hydrogen bonds; Mathematical analysis; Methyl alcohol; Molecular structure; Non-classical CH⋯C hydrogen bond; Structural analysis; Supramolecular arrangement; Synthesis; Translations; Triazenido ligand
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2014.11.069

•Two new cyclopalladated complexes containing triazenido ligands were obtained.•Compounds were characterized by IR techniques and single crystal XRD.•CH⋯C interactions are relevant for molecular assembly during the crystallization. The reaction of [Pd{dmba}(μ-N3)]2 (dmba=N,N-dimethylbenzylamine) with 1-(2-fluorophenyl)-3-(4-nitrophenyl)triazenido (L1) or 1,3-bis(4-nitrophenyl)triazenido (L2) anions, in methanol, and subsequent treatment with pyridine (py) allows the preparation of the corresponding cyclopalladated compounds [Pd(dmba)(L1)(py)] (1) and [Pd(dmba)(L2)(py)]⋅py (2). The acentric mononuclear entities of (1) and (2) are connected by weak intermolecular non-classical CH⋯C hydrogen bonds, which results in 2-D arrangements by translation, along the [100] and [001] crystallographic directions, respectively.