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

• 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).

Ämnesord

NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

Nyckelord

polymerization

chemistry

crystal-structures

Cyclic voltammetry

carrier

X-ray crystal structure

DFT calculations

trinuclear

carboxamide ligands

chelating ligands

norbornene

neutral

fast-response

Pd(II) carboxamide complex

fe

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