Asymmetric and Symmetric Triazenido Cyclopalladated Complexes: Synthesis, Structural Analysis and DFT Calculations

Abstract The reaction of [Pd{ dmba }(μ-N 3 )] 2 ( dmba  =  N , N -dimethylbenzylamine) with 1-(2-fluorophenyl)-3-(4-nitrophenyl)triazenido ( L 1 ) or 1,3- bis (4-nitrophenyl)triazenido ( L 2 ) anions, in methanol, and subsequent treatment with pyridine (py) allows the preparation of the corresponding cyclopalladated compounds [Pd(dmba)(L 1 )(py)] ( 1 ) and [Pd(dmba)(L 2 )(py)] ⋅ py ( 2 ). The acentric mononuclear entities of ( 1 ) and ( 2 ) are connected by weak intermolecular non-classical C H⋯C hydrogen bonds, which results in 2-D arrangements by translation, along the [1 0 0] and [0 0 1] crystallographic directions, respectively.