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Oleg N Antzutkin - One of the best experts on this subject based on the ideXlab platform.
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a pyridine adduct of bis di iso butyldithiocarbamato s s Cadmium ii multinuclear 13c 15n 113cd cp mas nmr spectroscopy crystal and molecular structure and thermal behaviour
Inorganica Chimica Acta, 2011Co-Authors: T A Rodina, A V Ivanov, A V Gerasimenko, M A Ivanov, A S Zaeva, Tatyana S Philippova, Oleg N AntzutkinAbstract:Abstract Crystalline bis(N,N-di-iso-butyldithiocarbamato-S,S′)(pyridine)Cadmium(II) – adduct 1 was prepared and studied by means of multinuclear 13C, 15N, 113Cd CP/MAS NMR spectroscopy, single-crystal X-ray diffraction and simultaneous thermal analysis (STA). In molecular structure 1, the Cadmium Atom coordinates with four sulphur Atoms and one nitrogen Atom of pyridine, forming a coordination polyhedron [CdS4N], whose geometry is an almost ideal tetragonal pyramidal (C4v). The coordinated py molecule is in the apical position, while two structurally non-equivalent di-iso-butyldithiocarbamate ligands, playing the same terminal S,S′-chelating function, define the basal plane. To characterise additionally the structural state of the Cadmium Atom in this fivefold coordination, 113Cd chemical shift anisotropy (CSA) parameters, δaniso and η, were calculated from experimental MAS NMR spectra that revealed an almost axially symmetric 113Cd chemical shift tensor. From a combination of TG and DSC measurements taken under an argon atmosphere, we found that the mass of adduct 1 is lost in two steps involving initial desorption of coordinated py molecules with subsequent thermal destruction of liberated Cadmium(II) di-iso-butyldithiocarbamate, with yellow-orange, fine-powdered solid CdS as the final product.
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a pyridine adduct of bis di iso butyldithiocarbamato s s Cadmium ii multinuclear 13c 15n 113cd cp mas nmr spectroscopy crystal and molecular structure and thermal behaviour
Inorganica Chimica Acta, 2011Co-Authors: T A Rodina, A V Ivanov, A V Gerasimenko, M A Ivanov, A S Zaeva, Tatyana S Philippova, Oleg N AntzutkinAbstract:Crystalline bis(N, N-di-iso-butyldithiocarbamato-S,S')(pyridine)Cadmium(II) - adduct 1 was prepared and studied by means of multinuclear (13)C, (15)N, (113)Cd CP/MAS NMR spectroscopy, single-crystal X-ray diffraction and simultaneous thermal analysis (STA). In molecular structure 1, the Cadmium Atom coordinates with four sulphur Atoms and one nitrogen Atom of pyridine, forming a coordination polyhedron [CdS(4)N], whose geometry is an almost ideal tetragonal pyramidal (C(4v)). The coordinated py molecule is in the apical position, while two structurally non-equivalent di-iso-butyldithiocarbamate ligands, playing the same terminal S,S'-chelating function, define the basal plane. To characterise additionally the structural state of the Cadmium Atom in this fivefold coordination, (113)Cd chemical shift anisotropy (CSA) parameters, delta(aniso) and eta, were calculated from experimental MAS NMR spectra that revealed an almost axially symmetric (113)Cd chemical shift tensor. From a combination of TG and DSC measurements taken under an argon atmosphere, we found that the mass of adduct 1 is lost in two steps involving initial desorption of coordinated py molecules with subsequent thermal destruction of liberated Cadmium(II) di-iso-butyldithiocarbamate, with yellow-orange, fine-powdered solid CdS as the final product. (C) 2011 Elsevier B.V. All rights reserved.
Stéphane Brandès - One of the best experts on this subject based on the ideXlab platform.
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Cadmium Metal–Organic Frameworks Based on Ditopic Triazamacrocyclic Linkers: Unusual Structural Features and Selective CO 2 Capture
Crystal Growth and Design, 2017Co-Authors: Hervé Feuchter, Guillaume Ortiz, Yoann Rousselin, Alla Bessmertnykh-lemeune, Stéphane BrandèsAbstract:Two three-dimensional Cadmium metal organic frameworks with general formula [Cd-2(L-1)(H2O)(3)](NO3)(0.7)(HCOO)(0.2)Br-0.1 (Cd2L1, L-1 = 1,4,7-tris(4-carboxybenzy1)-1,4,7-triazacyclononane) and Cd(HL2)(H2O)(2) (CdL2, L-2 = 1,4,7-tris(3-(4-benzoate)prop-2-yn-1-yl)-1,4,7-triazacydononane) based on 1,4,7-triazacyclononane N-functionalized by different arylcarboxylic acids were prepared under solvothermal conditions and characterized by single crystal X-ray analysis and porosity measurements. The crystal structure of Cd2L1 reveals a cationic net with a bcs topology,. and nodes are constituted by dinuclear Cadmium complexes, in which each Cadmium Atom adopts a hexacoordinated environment involving both the carboxylate and the cyclic amine. In contrast, CdL2 displays a 2-fold interpenetrated structure with a pcu topology. In this net, the node is a mononuclear complex in which the Cd Atom exhibits a seven coordination geometry. Both materials show a high permanent porosity and good CO2 adsorption properties with a high selectivity over N-2 and CH4. The adsorption capacity and selectivity for CO2 were calculated from a multisite Langmuir isotherm model and the ideal adsorbed solution theory, which gave insights into the nature of solid gas interactions and showed the influence of interpenetration or polarity of the charged framework on their adsorption properties.
Frank Scott Howell - One of the best experts on this subject based on the ideXlab platform.
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characterization and crystal structure of Cadmium ii halide complexes with amino acids and their derivatives vii crystal structures of aquadibromo 3 aminopropanoic acid Cadmium ii dichloro 4 aminobutanoic acid Cadmium ii diaquabis aminohexanoic acid
Journal of Inorganic Biochemistry, 2006Co-Authors: Shigeaki Kuriyama, Yoshie Inomata, Yumiko Arai, Frank Scott HowellAbstract:Seven Cadmium complexes: [CdX2(Hapro)(H2O)n] (X: Cl(1), Br(2)), [CdX2(Hgaba)] (X: Cl(3), Br(4)), [Cd(Hahex)2(H2O)2][CdCl4] (5), and [CdX2(Haze-3)](H2O)n (X: Cl(6), Br(7)) have been prepared and investigated by means of IR and FT Raman spectra. The crystal and molecular structures of 2, 3, 5 and 7 were determined by a single-crystal X-ray diffraction method. In complex 2, the Cadmium Atom is in a distorted octahedral geometry, ligated by two carboxyl oxygen Atoms of Hapro, a water molecule, and three bromine Atoms; one is terminal and each of the other two is bridging two Cadmium Atoms to make a polymer. The structure of 3 consists of one-dimensional polymers bridged by two chlorine Atoms and a carboxyl group. The carboxyl oxygen Atoms of Hgaba coordinate forkedly to two Cadmium Atoms. The Cadmium Atom of [Cd(Hahex)2(H2O)2]2+ in complex 5 is in a distorted octahedral geometry, ligated by four carboxyl oxygen Atoms of two molecules of Hahex and by two water molecules. [Cd(Hahex)2(H2O)2]2+ exists between two layers which are formed of infinite [CdCl4]2- chains. The carboxyl oxygen Atoms of Hahex coordinate to the same Cadmium Atom. In complex 7, the Cadmium Atom is ligated by two carboxyl oxygen Atoms and four bridging bromine Atoms to make a polymer.
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Characterization and crystal structures of zinc(II) and Cadmium(II) complexes with D-(−)-quinic acid
Journal of Inorganic Biochemistry, 1999Co-Authors: Yoshie Inomata, T Haneda, Frank Scott HowellAbstract:Zinc(II) and Cadmium(II) complexes with D -(−)-quinic acid (H 5 quina), [Zn(H 4 quina) 2 ] and [Cd(H 4 quina) 2 ](H 2 O), have been prepared and characterized by means of infrared spectra and thermal analysis. Crystal structures of both complexes have been determined by X-ray diffraction. The crystal of [Zn(H 4 quina) 2 ] is monoclinic with the space group C 2. The zinc(II) Atom is in a trigonal antiprism geometry, ligated by two carboxylato oxygen Atoms and two hydroxyl oxygen Atoms from two molecules of quinic acid, and two carboxylato oxygen Atoms of two neighboring molecules. This complex consists of polymers bridged by a carboxylato oxygen Atom. The crystal of [Cd(H 4 quina) 2 ](H 2 O) is monoclinic with space group P 2 1 . The Cadmium Atom is in a monocapped trigonal prism geometry. There are two types of quinic acid in this complex. One quinic acid molecule chelates with a Cadmium Atom by a carboxylato oxygen Atom and a hydroxyl oxygen Atom, and coordinates with a neighboring Cadmium Atom by a carboxylato oxygen Atom. The other quinic acid molecule chelates with a Cadmium Atom by two oxygen Atoms of a carboxyl group, and chelates with a neighboring Cadmium Atom by two hydroxyl oxygen Atoms. This complex consists of polymers bridged by carboxylato oxygen Atoms and hydroxyl oxygen Atoms.
Yoshie Inomata - One of the best experts on this subject based on the ideXlab platform.
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characterization and crystal structure of Cadmium ii halide complexes with amino acids and their derivatives vii crystal structures of aquadibromo 3 aminopropanoic acid Cadmium ii dichloro 4 aminobutanoic acid Cadmium ii diaquabis aminohexanoic acid
Journal of Inorganic Biochemistry, 2006Co-Authors: Shigeaki Kuriyama, Yoshie Inomata, Yumiko Arai, Frank Scott HowellAbstract:Seven Cadmium complexes: [CdX2(Hapro)(H2O)n] (X: Cl(1), Br(2)), [CdX2(Hgaba)] (X: Cl(3), Br(4)), [Cd(Hahex)2(H2O)2][CdCl4] (5), and [CdX2(Haze-3)](H2O)n (X: Cl(6), Br(7)) have been prepared and investigated by means of IR and FT Raman spectra. The crystal and molecular structures of 2, 3, 5 and 7 were determined by a single-crystal X-ray diffraction method. In complex 2, the Cadmium Atom is in a distorted octahedral geometry, ligated by two carboxyl oxygen Atoms of Hapro, a water molecule, and three bromine Atoms; one is terminal and each of the other two is bridging two Cadmium Atoms to make a polymer. The structure of 3 consists of one-dimensional polymers bridged by two chlorine Atoms and a carboxyl group. The carboxyl oxygen Atoms of Hgaba coordinate forkedly to two Cadmium Atoms. The Cadmium Atom of [Cd(Hahex)2(H2O)2]2+ in complex 5 is in a distorted octahedral geometry, ligated by four carboxyl oxygen Atoms of two molecules of Hahex and by two water molecules. [Cd(Hahex)2(H2O)2]2+ exists between two layers which are formed of infinite [CdCl4]2- chains. The carboxyl oxygen Atoms of Hahex coordinate to the same Cadmium Atom. In complex 7, the Cadmium Atom is ligated by two carboxyl oxygen Atoms and four bridging bromine Atoms to make a polymer.
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Characterization and crystal structures of zinc(II) and Cadmium(II) complexes with D-(−)-quinic acid
Journal of Inorganic Biochemistry, 1999Co-Authors: Yoshie Inomata, T Haneda, Frank Scott HowellAbstract:Zinc(II) and Cadmium(II) complexes with D -(−)-quinic acid (H 5 quina), [Zn(H 4 quina) 2 ] and [Cd(H 4 quina) 2 ](H 2 O), have been prepared and characterized by means of infrared spectra and thermal analysis. Crystal structures of both complexes have been determined by X-ray diffraction. The crystal of [Zn(H 4 quina) 2 ] is monoclinic with the space group C 2. The zinc(II) Atom is in a trigonal antiprism geometry, ligated by two carboxylato oxygen Atoms and two hydroxyl oxygen Atoms from two molecules of quinic acid, and two carboxylato oxygen Atoms of two neighboring molecules. This complex consists of polymers bridged by a carboxylato oxygen Atom. The crystal of [Cd(H 4 quina) 2 ](H 2 O) is monoclinic with space group P 2 1 . The Cadmium Atom is in a monocapped trigonal prism geometry. There are two types of quinic acid in this complex. One quinic acid molecule chelates with a Cadmium Atom by a carboxylato oxygen Atom and a hydroxyl oxygen Atom, and coordinates with a neighboring Cadmium Atom by a carboxylato oxygen Atom. The other quinic acid molecule chelates with a Cadmium Atom by two oxygen Atoms of a carboxyl group, and chelates with a neighboring Cadmium Atom by two hydroxyl oxygen Atoms. This complex consists of polymers bridged by carboxylato oxygen Atoms and hydroxyl oxygen Atoms.
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Preparation and Characterization of Cadmium(II) Halide Complexes with N-Substituted Glycines, and the Crystal Structures of Dichloro(N-methylglycine)Cadmium(II) and Diaquadichloro(N,N-dimethylglycine)Cadmium(II)
Bulletin of the Chemical Society of Japan, 1994Co-Authors: Junichi Yamada, Yoshie Inomata, Haruki Hashimoto, Toshio TakeuchiAbstract:Eight Cadmium(II) halide complexes with N-methylglycine (sarcosine, Hsar), N,N-dimethylglycine (Hdmgly), and N,N,N-trimethylglycine (betaine, Hbet) have been prepared and characterized by using their infrared absorption spectra and thermal analyses. In addition, the crystal and molecular structures of [CdCl2(Hsar)] (1) and [CdCl2(Hdmgly)(H2O)2] (2) were determined by a single-crystal X-ray diffraction method. The crystal data for these two complexes are as follows: Complex (1): monoclinic, space group P21/n, a = 7.960(2), b = 13.844(1), c = 6.917(1) A, β = 92.42(2)°, Z = 4. Complex (2): monoclinic, space group P21/a, a = 7.696(2), b = 21.854(4), c = 6.253(2) A, β = 103.69(2)°, Z = 4. These structures were solved by the heavy-Atom method and refined by full-matrix least-square methods to final R values of 0.043 for 2533 reflections about 1 and 0.068 for 3615 reflections about 2, respectively. For 1 the structure consists of a one-dimensional polymer bridged by two chlorine Atoms. The Cadmium Atom is hexa-c...
Saeed Ahmad - One of the best experts on this subject based on the ideXlab platform.
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synthesis characterization dft calculations and antimicrobial studies of Cadmium ii sulfate complexes of thioureas and 2 mercaptopyridine x ray structures of polymeric diaqua n n dimethylthiourea sulfatoCadmium ii and bis 2 mercaptopyridine sulfatoca
Polyhedron, 2018Co-Authors: Saeed Ahmad, Anvarhusein A. Isab, Muhammad Saleem, Ivelina Georgieva, Tobias Ruffer, Dieter Schaarschmidt, Heinrich Lang, Ghulam Murtaza, Irshad Hussain, Muhammad Riaz MalikAbstract:Abstract Cadmium(II) complexes of thioureas, [Cd(Tu)(SO4)(H2O)2]n (1), [Cd(Dmtu)(SO4)(H2O)2]n (2) and [Cd(Mpy)2(SO4)]n (3) (Tu = thiourea, Dmtu = N,N′-dimethylthiourea and Mpy = 2-mercaptopyridine) were prepared and characterized by IR and NMR spectroscopy, and thermal analysis. While the solid state structure of 1 is known in the literature, the structures of 2 and 3 were determined by single crystal X-ray crystallography. Complexes 2 and 3 exist in the form of one-dimensional polymers. In 2, each Cadmium Atom is octahedrally coordinated by two doubly bridging Dmtu ligands, two sulfate ions and two water molecules. In 3, the octahedral coordination at the Cadmium Atom is attained by four bridging Mpy ligands and two sulfate ions. The results of the thermal analyses of 1 and 2 indicate a good correlation between the calculated and found weight loss values. The IR spectra of 1–3 were simulated and interpreted by means of periodic DFT calculations of their modelled polymeric solid state structures. The IR and NMR spectroscopic data are consistent with sulfur coordination of the thiones and oxygen coordination of the bridging sulfato group to the Cadmium(II) ions. The antimicrobial activities of the complexes were evaluated by their minimum inhibitory concentrations and the results showed that the complexes exhibit moderate activities against gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa). The activities against molds (Aspergillus niger and Penicillium citrinum) were poor, while the complexes were almost ineffective against yeasts (Candida albicans and Saccharomyces cerevisiae).
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structural characterization of tetrakis 1 3 diazinane 2 thione Cadmium ii sulfate
Journal of Structural Chemistry, 2015Co-Authors: Rashid Mahmood, Anvarhusein A. Isab, S G Hussain, Mohammed Fettouhi, Atif Fazal, Saeed AhmadAbstract:A Cadmium(II) complex tetrakis(1,3-diazinane-2-thione)Cadmium(II) sulfate [Cd(Diaz)4]SO4 (1) is prepared and its crystal structure is determined by X-ray crystallography. The crystal structure of 1 consists of [Cd(Diaz)4]2+ and SO 4 2− ions. In the complex ion, the central Cadmium Atom is coordinated by four Diaz molecules through sulfur Atoms adopting a distorted tetrahedral geometry. The molecular structure is stabilized by N-H…O and N-H…S hydrogen bonding interactions. The complex is also characterized by IR and NMR spectroscopy and the spectroscopic data are discussed in terms of the nature of bonding.
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Synthesis and Structural Characterization of Dibromidobis(N,N′-dimethylthiourea-κS)Cadmium(II) and Diiodidobis(N,N′-dimethylthiourea-κS)Cadmium(II)
Journal of Chemical Crystallography, 2011Co-Authors: Saeed Ahmad, Muhammam Riaz Malik, Anvarhusein A. Isab, Helen Stoeckli-evans, Muhammad Altaf, Shaukat ShujaAbstract:Cadmium(II) complexes, dibromidobis( N,N ′-dimethylthiourea- S )Cadmium(II), [Cd(Dmtu)_2Br_2] ( 1 ) and diiodidobis( N,N ′-dimethylthiourea- S )Cadmium(II), [Cd(Dmtu)_2I_2] ( 2 ), have been prepared and their structures have been determined by X-ray crystal structure analysis. Compound 1 crystallized in the monoclinic space group C 2/ c , and the metal ion is situated on a twofold rotation axis. Compound 2 also crystallized in a monoclinic space group, P 2_1/ c , but here the molecules have no crystallographic symmetry. In both compounds the Cadmium Atom is bonded to two halide ions and to two dimethylthiourea molecules through the sulfur Atoms in a tetrahedral environment. The molecules are linked via N–H⋯Halide hydrogen bonds to form infinite one-dimensional chains in 1 and infinite two dimensional networks in 2 . The complexes were also characterized by IR and NMR spectroscopy and the data are consistent with the structures of the compounds. Graphical Abstract Cadmium(II) complexes, dibromidobis( N,N ′-dimethylthiourea- S )Cadmium(II), [Cd(Dmtu)_2Br_2] ( 1 ) and diiodidobis( N,N ′-dimethylthiourea- S )Cadmium(II), [Cd(Dmtu)_2I_2] ( 2 ), have been prepared and their structures have been determined by X-ray crystal structure analysis. In both compounds the Cadmium Atom is bonded to two halide ions and to two dimethylthiourea molecules through the sulfur Atoms in a tetrahedral environment. The molecules are linked via N–H⋯Halide hydrogen bonds to form infinite one-dimensional chains in 1 and infinite two dimensional networks in 2 . The complexes were also characterized by IR and NMR spectroscopy and the data are consistent with the structures of the compounds.
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synthesis and structural characterization of dibromidobis n n dimethylthiourea κs Cadmium ii and diiodidobis n n dimethylthiourea κs Cadmium ii
Journal of Chemical Crystallography, 2011Co-Authors: Saeed Ahmad, Muhammam Riaz Malik, Helen Stoecklievans, Anvarhusein A. Isab, Muhammad Altaf, Shaukat ShujaAbstract:AbstractCadmium(II) complexes, dibromidobis(N,N′-dimethylthiourea-S)Cadmium(II), [Cd(Dmtu) 2 Br 2 ] (1) and diiodidobis(N,N′-dimethylthiourea-S)Cadmium(II), [Cd(Dmtu) 2 I 2 ] (2), have been prepared and their structures have been determined by X-ray crystal structure analysis. Compound 1 crystallized in the monoclinic space group C2/c, and the metal ion is situated on a twofold rotation axis. Compound 2 also crystallized in a monoclinic space group, P2 1 /c, but here the molecules have no crystallographic symmetry. In both compounds the Cadmium Atom is bonded to two halide ions and to two dimethylthiourea molecules through the sulfur Atoms in a tetrahedral environment. The molecules are linked via N–H⋯Halide hydrogen bonds to form infinite one-dimensional chains in 1 and infinite two dimensional networks in 2. The complexes were also characterized by IR and NMR spectroscopy and the data are consistent with the structures of the compounds.Graphical AbstractCadmium(II) complexes, dibromidobis(N,N′-dimethylthiourea-S)Cadmium(II), [Cd(Dmtu) 2 Br 2 ] (1) and diiodidobis(N,N′-dimethylthiourea-S)Cadmium(II), [Cd(Dmtu) 2 I 2 ] (2), have been prepared and their structures have been determined by X-ray crystal structure analysis. In both compounds the Cadmium Atom is bonded to two halide ions and to two dimethylthiourea molecules through the sulfur Atoms in a tetrahedral environment. The molecules are linked via N–H⋯Halide hydrogen bonds to form infinite one-dimensional chains in 1 and infinite two dimensional networks in 2. The complexes were also characterized by IR and NMR spectroscopy and the data are consistent with the structures of the compounds.[IMAGE]
