Synthesis and characterization of mono- and bis-ligand zinc(II) and cadmium(II) complexes of the di-2-pyridylketone Schiff base of S-benzyl dithiocarbazate (Hdpksbz) and the X-ray crystal structures of the [Zn(dpksbz) 2] and [Cd(dpksbz)NCS] 2 complexes (original) (raw)
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Polyhedron, 2014
The Preparation of 9-Methyl-3-thiophen-2-yl-thieno [3, 2-e] [1, 2, 4] triazolo [4, 3-c] pyrimidine-8-carboxylic acid ethyl ester is described. Elemental analysis, IR spectrum, 1 H NMR, 13 C NMR and X-ray crystal structure analyses were carried out to determine the composition and molecular structure of the title compound. There are two independent molecules in the asymmetric unit exhibiting intermolecular C-H…N, C-H…O interactions with additional π-π interaction that further helps in stabilizing the supramolecular structure. The results showed that the proposed method for synthesis is simple, precise and accurate which was further confirmed by crystal structure analysis.
Polyhedron, 2007
1 ,N 3 -bis(3-methoxysalicylideneimino)diethylenetriamine, a potentially heptadentate Schiff base with a N 3 O 4 donor set). All the complexes have been synthesised under similar synthetic procedures and their crystal structures have been established by single crystal X-ray diffraction methods. The ligands and their metal complexes have been characterised by analytical and spectroscopic techniques. Among the three complexes, 1 and 3 are linear whereas 2 is a cyclic trimer. In 1 and 3, all the doubly phenoxo bridged Cd(II) metal centres are in a distorted octahedral environment. In complex 2, two of the three Cd(II) centres reside in a distorted octahedral environment and the remaining one enjoys a monocapped octahedral geometry. Altogether the variety in the bridging mode of two new salen-type ligands has been established through these complexes.
Polyhedron, 2003
A series of cadmium(II) complexes with N -alkyl or aryl and N ,N ?-dialkyl or diaryl thioureas (RNHCSNHR?; where R 0/R?0/ CH 3 , CH 2 CH 3 , C 6 H 5 and or R?0/H) have been synthesised and characterised. The structures of the polymer [CdCl 2 (CS(NH 2 )NHCH 3 ) 2 ] n (I) and monomer [CdCl 2 (CS(NH 2 )NHCH 2 CH) 2 ] (II) were determined by single crystal X-ray methods. The structure (I) is a polymer chain built from [CdCl 3 S 3 ] distorted octahedra. Complex II is monomeric with a distorted tetrahedral geometry at the cadmium centre. 1 H NMR spectroscopy in deuterated dimethyl sulfoxide at room temperature had broadened NH peaks in the lower field (region 6.0 Á/10.0 ppm) which indicates the presence of both cis and trans -isomers for the Nalkylthioureas. All the spectroscopic data obtained are consistent with the coordination of ligands by sulphur atom to the metal ion. Thermogravimetric studies show that several of these complexes decompose cleanly to CdS and may be useful in materials preparation. #
Journal of Chemical Crystallography, 2009
A novel cadmium complex [Cd(C 7 H 4 NS 2 ) 2 (phen)] was synthesized by the reaction of a polymeric complex, [Cd(C 7 H 4 NS 2 ) 2 ] n , with 1,10-phenanthroline (phen) as a ligand. The crystal structure was determined by single-crystal X-ray diffraction. The crystallographic data are: triclinic P " 1, a = 8.3670 Å , b = 10.9898(8) Å , c = 17.1404(13) Å , a = 95.567(2)8, b = 95.881(2)8, c = 109.034(1)8, V = 1471.26(19) Å 3 and Z = 2. The final R value is 0.0375 for 7154 reflections. The compound
Inorganica Chimica Acta, 2018
Three dithiocarbazate complexes, CdL 2 (1), Cu 2 L 2 (OAc) 2 (2) and [CuLCl] n (3), are synthesized using S-allyl-3-[(2-pyridyl-methylene)]dithiocarbazate (HL) as tridentate ligand. All compounds are characterized by elemental analysis, molar conductance, FT-IR and UV-Vis spectroscopy, mass spectrometry and single crystal X-ray diffraction. In all the complexes, the ligand (L¯) coordinates to the metal centers through the pyridine nitrogen, the azomethine nitrogen and the thiolate sulfur atoms. In compound 1, two ligand units encompass the cadmium(II) ion in bischelate distorted octahedral fashion. In the copper binuclear compound (2), each metal atom is coordinated to one L¯ ligand unit and the two copper atoms are held by two bridging acetate ligands. In the coordination polymer 3, copper has a distorted square pyramidal geometry in which L¯ holds three coordination positions and two chloride ligands complete the fivecoordinated arrangement, so that each chlorine atom links two adjacent Cu centers. Molecular geometries, vibrational frequencies and optimized structure energies are compared using the density functional method (B3LYP) with 6-311++G(d,p) basis set. Electronic absorption spectra of compounds are predicted with TD-DFT studies and compared with experimental ones. Natural bond orbital analysis (NBO) is performed for HOMO-LUMO, charge delocalization, intramolecular hydrogen bonding and orbital contributions.
Journal of Physics: Conference Series, 2021
This study focuses on the synthesis of the 2-[2\-(5-bromo thiazolyl) azo]-5-di-methyl amino benzoic acid (5-BrTAMB) and Cd(II) coordinate complex. Diazotization by 2-amino-5- bromo thiazole and mixation by an alkaline alcohol solution of the 3-dimethyl amino benzoic acid. Various analytical techniques, including 1H-NMR, mass spectral, FT-IR spectra, UV-Vis, elemental analysis (C.H.N.S), measurement of electrical conductivity, magnetic susceptibility, TGA, XRD data and SEM spectra support azo ligand structures and their metal complex. The ligand is the trident N, N, O donor and forms the ML2 [metal-ligand] stoichiometry complex. Cd(II)-complex is found to have exhibited octahedral geometry. The ligand and its metal complex were screened against A. Niger for their antifungal activity and antibacterial activity against S. Aurores and E. Coli.
Cadmium(II) complexes of the types [CdCl2(LH)] (LH= benz-1,3-imidazoline -2-thione , benz-1,3-oxazoline-2-thione or benz-1,3-thiazoline-2-thione ), have been prepared by the reaction of [HgCl2] with one mole proportion of the ligands LH. Reaction of [Cd(OAc)2] with two mole proportion of LH in the presence Et3N gave complexes of the type [CdL2]. Treatment of [CdL2] with two mole proportion of PPh3 or one mole proportion of the diphosphine Ph2P(CH2)nPPh2 ( n= 1-4 ) gave tetrahedral complexes of the type [CdL2(PPh3)2], [CdL2(μ-diphos)]2 (n=1) or [CdL2(diphos)] n=2 - 4 receptivity . The prepared complexes were characterized by elemental analysis, i.r., 1H, 13C-{1H} and 31P-{1H} n.m.r.data.
Structural characterization of a cadmium(II)-sulfato complex, [Cd(N,N′-diethyl thiourea)4(SO4)]
Journal of Structural Chemistry, 2011
A cadmium(II) complex, tetrakis(N,N′-diethylthiourea)sulfatocadmium(II), [Cd(Detu) 4 SO 4 ] (1) is prepared and its crystal structure is determined by X-ray crystallography. The crystal structure of the complex consists of an independent molecule with the central cadmium atom coordinated to four thione sulfur atoms of Detu and two oxygen atoms of the sulfate ligand. The Cd atom has a pseudo-octahedral coordination environment with the cis angles varying from 57.68° to 126.57°, while the trans angles fall in the range of 142° to 169°. The new complex was also characterized by IR and NMR spectroscopy and the spectroscopic data are discussed in terms of the nature of bonding.