Molecular structures and vibrational frequencies for cis-[PdCl2(tmen)] and cis-[Pd(N-3)(2)(tmen)]: A DFT study

Theoretical molecular structures of the complexes cis-[PdCl2(tmen)] and cis-[Pd(N-3)(2)(tmen)] (tmen = N,N,N',N'-tetramethylethylenediamine) were investigated using B3LYP/DFT method. The calculated molecular parameters, bond distances and angles, revealed a square-planar geometry around the metallic center for both compounds with the azide being linear. The theoretical infrared spectra of C, symmetry (electronic state (1)A) of the compounds are in agreement with the experimental data. (C) 2007 Elsevier B.V. All rights reserved.

Molecular structures and vibrational frequencies for [PdX2(tdmPz)] (X = Cl-, SCN-): A DFT study

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Thermal decomposition of palladium(II) pyrazolyl complexes. Part I

The thermal behavior of simple and mixed pyrazolyl complexes [PdCl2(phmPz)(2)] (1),[Pd(N-3)(2)(phmPz)(2)] (2), [Pd(SCN)(2)(phmPz)(2)] (3), and [Pd(N-3)(SCN)(phmPz)(2)] (4) (phmPz: 1-phenyl-3-methylpyrazole) has been investigated by means of thermogravimetry (TG) and differential thermal analysis (DTA). From the initial decomposition temperatures, the thermal stability of the complexes can be ordered in the sequence: 4 < 2 < 3 < 1. The final products of the thermal decompositions were characterized as metallic palladium (Pd-0). (C) 2004 Elsevier B.V. All rights reserved.

Synthesis and structural characterization of dichlorobis (1-phenyl-3-methylpyrazole) palladium(II) and diazidobis (1-phenyl-3-methylpyrazole) palladiium(II)

Mononuclear pyrazolyl Pd(II) complexes of the type [PdX2(phmPz)(2)] (X = Cl-, N-3(-)) have been prepared. The 1-phenyl-3-methylpyrazole displaces acetonitrile from [PdCl2(CH3CN)(2)] to form [PdCl2(PhMPz)(2)] (phmPz = 1-phenyl-3-methylpyrazole) (1). [Pd(N-3)(2)(PhmPz)(2)] (2) could be obtained by metathesis from [PdCl2(CH3CN)(2)] or by substitution of the chloride in (1) by the azide ion. Both complexes were characterized by elemental analysis, infrared spectroscopy, H-1 and C-13 NMR and by single crystal X-ray diffraction. The coordination geometry around Pd(II) in these complexes is nearly square-planar, with the ligands in a trans configuration.

Direct determination of phosphite in fertilizers by flow-injection amperometry

A sensor based on graphite electrode modified with palladium-platinum-palladium film is proposed for phosphite determination by flow-injection amperometry. The modified electrode was prepared by a sequential cathodic deposition of Pd, Pt and Pd on a graphite electrode from 0.5% m/v PdCl2 + 28% m/v NH4OH and 2% m/v H2PtCl6 + 10% v/v H2SO4 solutions. After suitable conditioning, the electrode showed catalytic activity for phosphite oxidation when 0. 15 V was applied. The proposed system handles approximately 50 samples per hour (0.0.1 - 0.05 mol L-1 Na-2 HPO3; R-2 = 0.9997), consuming ca. 70 mu L of sample per determination. The limit of detection and amperometric sensibility were 5 X 10(-4) mol L-1 and 1.5 mA L mol(-1), respectively. The proposed method was applied to analysis of fertilizer samples without pre-treatment. Results are in agreement with those obtained by spectrophotometry and titrimetry at 95% confidence level and good recoveries (96-109%) of spiked samples were found. Relative standard deviation (n=12) of a 0.01 mol L-1 Na2HPO3 sample was 2%. The useful lifetime of modified electrode was around 220 determinations. For routine purposes it means that this electrode can be continuously used for 5 hours.

Thermal decomposition of palladium(ii) pyrazolyl complexes: Part II

Thermal behavior of pyrazolyl complexes [PdCl2(HPz)2] (1), [PdCl2(HdmPz)2] (2), [Pd(SCN)2(HPz) 2] (3), [Pd(SCN)2(HdmPz)2] (4), [Pd(N 3)2(HdmPz)2] (5), [Pd(PzNHCO)2] (6) and [Pd(dmPzNHCO)2] (7) (HPz=pyrazole, HdmPz=3,5-dimethylpyrazole) has been studied by TG and DTA. In general, the thermal stability of [PdX 2(HL)2] (HL=HPz, HdmPz) compounds varies in the following order: HdmPz>HPz as well, according to the trends X=Cl ->SOT->NNN-. Except for 5, the [PdX 2(HL)2] complexes showed higher thermal stability than the 6 and 7 chelates. No stable intermediates were isolated during the thermal decompositions because of the overlapping degradation processes. The final products of the thermal decompositions were identified as metallic palladium by X-ray powder diffraction. © 2005 Akadémiai Kiadó, Budapest.

Molecular and crystal structure of trans-(dicyanato)-bis(triphenylphosphine)palladium(II)

The triphenylphosphine (PPh3) displaces the acetonitrile from [PdCl2(CH3CN)2], and subsequent addition of the potassium cyanate causes substitution of the chloro ligand by NCO- to yield trans-[Pd(NCO)2(PPh3)2]. The complex was characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The title compound was crystallized in a triclinic system, space group P1 with a = 9.213(3)Å, b = 9.781(7)Å, c = 10.483(5)Å, α = 111.39(5)°, β = 93.49(3)°, γ = 103.81(4)°, V = 845.0(1)Å3, Z = 1. The coordination geometry around Pd(II) in this complex is nearly square-planar, with the ligands in a trans relationship. 2008 © The Japan Society for Analytical Chemistry.

Síntese, caracterização e investigação da atividade biológica de complexos de cobre e paládio contendo ligantes N,S doadores

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Potencialidades biológicas e aspectos estruturais de compostos contendo paládio(II) e isonicotinamida

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Investigação estrutural e atividade tuberculostática de complexos mononucleares e binucleares de paládio (II)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Estudo da atividade biológica de compostos de paládio (II)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Síntese e caracterização de estruturas supramoleculares organizadas a partir de sistemas de paládio(II)/ácidos dicarboxílicos/ligantes lineares nitrogenados

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Complexos triazólicos de Pd(II): síntese, caracterização e atividade biológica

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Espécies moleculares e supramoleculares de Pd(II) contendo ligantes N,S doadores: síntese e caracterização

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Síntese, caracterização e avaliação da citotoxidade de complexos de 'Pd'(II) contendo o ligante 4,4´,5,5´ - tetrametil-2,2´-bis-imidazol

Pós-graduação em Química - IQ