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Synthesis, Structures and Characterization of Transition Metal Complexes of N-heterocycle-containing Ligands and Clusters Induced by Rare Earth Metal Ions

Author: JiangZhengJing
Tutor: LuLuDe;WuXiaoDong
School: Nanjing University of Technology and Engineering
Course: Chemical Engineering and Technology
Keywords: Isoniazid Nicotine Chlorpromazine hydrochloride Promethazine Hydrochloride Rare earth metals Complexes Structure
CLC: O641.4
Type: PhD thesis
Year: 2009
Downloads: 270
Quote: 1
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N-heterocyclic compounds and their complexes, containing rare earth metal atom clusters, due to their promising applications in the field of life processes, optical, electrical, magnetic, catalytic, and has become a hot research field of inorganic chemistry and materials chemistry one. This paper focuses on the complex research hot solution synthesis, hydrothermal synthesis method, the design, synthesis and parse the single crystal structure of the 15 complexes, 10 complexes of N-heterocyclic compounds, 5 containing rare earth atom clusters. The use of NMR techniques which two kinds of N-heterocyclic compounds, the three kinds of N-heterocyclic solution of the complex structure, and also the use of quantum chemical calculation to verify the structure of the above two kinds of N-heterocyclic compound solution. Part the thermal stability of the complexes studied. Isoniazid ligand with CuCN, CuI, PtI 4 , FeSO 4 and other metal salts obtained four different structures of the ligand compound as crystals, wherein a as a two-dimensional structure of coordination polymers, a one-dimensional structure of coordination polymers, one pairs of nuclear complexes, a mononuclear complexes, and their crystal structure using single-crystal X-ray diffraction experiments confirmed. Compare and analyze the impact on the crystal structure of the complex of the type of the anion, the central ion. The use of NMR technology CuCN complexes in solution behavior. CuCN, CuI, PtI 4 of the thermal stability of the complexes is carried out research, analyzes the possible thermal decomposition method. To nicotine and of CuI, CuBr, HgI 2 HgBr 2 and other metal salts, four coordination compound crystal, in which two different structures quad-core clusters The compound 2 is isomorphic to a one-dimensional chain coordination polymers, their crystal structure has been confirmed by single-crystal X-ray diffraction experiments. Comparison of CuI, CuBr forming complexes reaction, analysis of CuI the HgI 2 , two the same d 10 valence electron configuration, but belong to different cycles, cation charge and atomic radius of the crystal structure of the complex; study the behavior of these two complexes in solution; pair CuI, HgI the the 2 , HgBr the 2 < / sub> of the thermal stability of the complexes is carried out research, analyzes the possible thermal decomposition method. Comparative Analysis of CuI as the cation source, with the same containing a pyridine ring, the nitrogen atom of the plurality of ligand isoniazid and nicotine, as a ligand, and under the same reaction conditions are obtained by the reaction of the ligand environment completely different complex crystal The reason is that the different side groups of the ligand, isoniazid side groups is a chain, and nicotine side group is cyclic, the group size, configuration, and space steric significant difference, ligand to adapt to different coordination environment, adjust the coordination modes and spatial arrangement. Hydrothermal synthesis method is simple, rapid synthesis of 2,2 '- bipyridine-Cd, iso the niacin-Co intact complex crystal and its crystal structure using single-crystal X-ray diffraction experiments confirmed. 2D NMR techniques to study another type of N-containing heterocyclic compounds - chlorpromazine hydrochloride and promethazine hydrochloride in the solution structure of chlorpromazine hydrochloride DMS0-d 6 , CD 3 COCD 3 , CDCl 3 and hydrochloric promethazine in DMSO-d 6 , CDCI < sub> 3 in the of 1 the H-NMR and of 13 C-NMR signal accurate attribution and a different solution of the side-chain signal differences analyzed, the experiments confirmed the chlorpromazine hydrochloride and promethazine hydrochloride in CDCl 3 are taken curled conformation speculated molecule may exist in the cation-π interaction. Using quantum chemical calculations to verify the above conclusion, the results coincide. The effects of rare earth ions Pr 3 , Dy , 3 by induction of [MS 4 ] - (M = Mo, W) and Ag -assembly reaction and the influence of the structure of the product, to obtain three clusters polymer chain having a spiral type one-dimensional anion discussed solvate balancing cation different anion skeleton configuration unit cell size. Also discussed the different molecular structure unit [MoS the the 2 and [WS 4 ] 2 anion bone architecture type, unit cell size, and the like. Effects of AgI in the self-assembly reaction induced by rare earth cation solvation, a novel structure of the cluster dimer that I - ligand diversity can bring complex structure diversity. [W V (CN) of 8 ] 3 - unit for the molecular structure, synthesis by induced by solvation rare earth cation one-dimensional chain cluster oligomer, the diversity of the rare earth cation coordination and CN - strong bridging ligand has an important role on the formation of such a cluster dimer.

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CLC: > Mathematical sciences and chemical > Chemistry > Physical Chemistry ( theoretical chemistry ),chemical physics > Structural Chemistry > Complex chemistry ( coordination chemistry )
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