Synthesis, X-ray structure, electrochemistry, and theoretical studies of palladium(II) complex with a tetradentate bis(quinoline-2-carboxamide) ligand
Journal article, 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
Author
S. Meghdadi
Isfahan University of Technology
Vratislav Langer
Chalmers, Chemical and Biological Engineering, Environmental Inorganic Chemistry
H. Farrokhpour
Laboratorio Nacional de Luz Sincrotron
Isfahan University of Technology
Al-Shimaà A A Massoud
Chalmers, Chemical and Biological Engineering, Environmental Inorganic Chemistry
Mehdi Amirnasr
Isfahan University of Technology
University of California, Santa Barbara
Journal of the Iranian Chemical Society
1735-207X (ISSN)
Vol. 9 1 85-92Subject Categories (SSIF 2011)
Chemical Sciences
DOI
10.1007/s13738-011-0008-9