Synthesis, X-ray structure, electrochemistry, and theoretical studies of palladium(II) complex with a tetradentate bis(quinoline-2-carboxamide) ligand
Artikel i vetenskaplig tidskrift, 2012
The title complex [Pd(Me(2)bqb)] (1), [Me(2)bqb(2-) = 1,2-bis(quinoline-2-carboxamide)-4,5-dimethyl-benzene dianion], has been synthesized and characterized by elemental analyses and spectroscopic methods, and the crystal and molecular structure of [Pd(Me(2)bqb)] has been determined by X-ray crystallography. The complex exhibits distorted square-planar PdN4 coordination geometry with two short and two long Pd-N bonds (Pd-N similar to 1.957 and similar to 2.095 angstrom, respectively). In addition to the molecular geometry from X-ray experiment, theoretical studies have been carried out on the structure of the complex at the density functional theory (DFT-B3LYP) level in conjunction with effective core potential basis set (LANL2DZ) for Pd atom and 6-311++G(d,p) basis set for N, O, C and H atoms. Electrochemical studies in CH2Cl2 solution revealed A reversible redox process corresponding to the Pd-II/Pd-III couple with E (1/2) at 0.924 V (vs. SCE).
carboxamide ligands
trinuclear
carrier
neutral
chelating ligands
fast-response
Pd(II) carboxamide complex
polymerization
crystal-structures
X-ray crystal structure
Cyclic voltammetry
chemistry
fe
DFT calculations
norbornene
Författare
S. Meghdadi
Isfahan University of Technology
Vratislav Langer
Chalmers, Kemi- och bioteknik, Oorganisk miljökemi
H. Farrokhpour
Laboratorio Nacional de Luz Sincrotron
Isfahan University of Technology
Al-Shimaà A A Massoud
Chalmers, Kemi- och bioteknik, Oorganisk miljökemi
Mehdi Amirnasr
Isfahan University of Technology
University of California, Santa Barbara
Journal of the Iranian Chemical Society
1735-207X (ISSN)
Vol. 9 1 85-92Ämneskategorier (SSIF 2011)
Kemi
DOI
10.1007/s13738-011-0008-9