Electronic Structure Calculation and Crystal Structure of Trimethylpyridine Cobalt Chloride Complex
نویسندگان
چکیده
منابع مشابه
Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
A novel Pyridine-2,6-dicarboxylic acid mixed ligands complex of formula [Co(NO3)2].6H2O has been obtained by the reaction of Pyridine-2,6-dicarboxylic acid with cobalt nitrate and 1,10-phenanthroline on heating in water. The structures of [Co(pydc)(Phen)(H2O)](pydcH2).4H2O receptors, and their complexes were optimized using DFT method at the B3LYP/3-21G** level. The highest occupied molecular o...
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The molecular and electronic structures and electron transport characteristics of a Co complex are investigated using first principles calculations. The Co complex belongs to the D(2d) point group, and its two ligands are perpendicular to each other. The central atom Co forms a distorted octahedron with six donor N atoms. In a low oxidation state, the bond length between Co and pyrrole nitrogen...
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A new binuclear complex of [{NiCl(6-mbipy)}2(μ-Cl)2] (1) was prepared from the reaction of NiCl2.6H2O and 6-methyl-2,2'-bipyridine (6-mbipy) in a mixture of methanol and acetonitrile. Suitable crystals of 1 for X-ray diffraction measurement were obtained by slow evaporation of the resulted green solution at room ...
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15 صفحه اولSolid–Solid Synthesis, Crystal Structure and Thermal Decomposition of Copper(II) Complex of 2-Picolinic Acid
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ژورنال
عنوان ژورنال: Pakistan Journal of Scientific & Industrial Research Series A: Physical Sciences
سال: 2017
ISSN: 2223-2559,2221-6413
DOI: 10.52763/pjsir.phys.sci.60.3.2017.117.121