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Synthesis, X-ray structure, electrochemistry, and theoretical studies of palladium(II) complex with a tetradentate bis(quinoline-2-carboxamide) ligand

S. Meghdadi ; Vratislav Langer (Institutionen för kemi- och bioteknik, Oorganisk miljökemi) ; H. Farrokhpour ; Alshima'a A. Massoud (Institutionen för kemi- och bioteknik, Oorganisk miljökemi) ; M. Amirnasr
Journal of the Iranian Chemical Society (1735-207X). Vol. 9 (2012), 1, p. 85-92.
[Artikel, refereegranskad vetenskaplig]

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).

Nyckelord: Pd(II) carboxamide complex, DFT calculations, X-ray crystal structure, Cyclic voltammetry, carboxamide ligands, crystal-structures, chelating ligands, neutral, carrier, fast-response, chemistry, fe, polymerization, norbornene, trinuclear

Denna post skapades 2012-03-13.
CPL Pubid: 155836


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Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Oorganisk miljökemi (2005-2014)



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