Benzotriazole, Quinoline Derivatives To Build A Functional Complex Structure And Performance Research

The literature about systemic research on the study of structure-properties relationships of organic-metal polymer has become hot topics. And to design materials with anticipatory properties and further exploite the relationship between their structures and properties from organic-metal polymers have become one of the most attractive research fields in modern material chemistry.In the first part of this paper, two novel Cu(II)-containing complexes [Cu(pbbt)Cl₂]₂·1/2CH₃OH 1 and [Cu(bbbt)_1.5Cl₂]_n 2 coordination complexes at room temperature, which contain ligands 1,1'-(1,3-propylene)bis-1H-benzotriazole (pbbt) and 1,1'-(1,4-butanediyl)bis-1H-benzotriazole (bbbt), have been synthesized and characterized. Quantum-chemical calculated results confirm that both of them are very stable. Single crystal X-ray diffraction shows that 1 exhibits discrete binuclear structure, in which the two Cu(Ⅱ) ions are bridged together through two Cl^- anions and two pbbt ligands. Whereas 2 displays infinitely extended two-dimensional reticulation grid structure with hexagon units in which six Cu(Ⅱ) ions act as corners and six bbbt ligands serve as sides. Obviously, ligands' structures control the formation and the structure of the two complexes. The electrochemical studies show that their redox processes in the potential range of 0.1 to 0.9 V are quasi-reversible and controlled by the diffusion. The diffusion coefficient values decrease as the increase in the molecular weight of the complexes and the size of the molecules. And CV, CA, CC, NPV techniques are also used to ditermine the complexes' other electrochemistry parameters. Only one-pair well-defined redox waves in the CV results are corresponding to the geometries that the Cu(Ⅱ) ions in 1 or 2 are equivalent and can be oxidized or reduced at the same potential. Further investigation exhibits that their electrochemical properties are consistent with their geometries and the computational results. The computational results of the free ligands pbbt and bbbt predicted that in the procedures of the synthesis of complexes, they may coordinate to metals as bi-dentate bridge ligands, not as tetra-dentate ligands, although they possess four potential coordination N atoms. The crystal structures of complexes 1 and 2 also validate this theoretic prediction. The energies of complexes 1 and 2 are lower than the total energies of their components due to the...