| 烷氧桥联混合配位的双核铜配合物的合成、结构及量子化学计算 |
| Alkoxo-bridged Dinuclear Coppe(II) Complex with Mixed Ligands: Synthesis, X-ray Crystal Structure and Theoretical Investigation |
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| 摘要: |
| 关键词: 铜(II)配合物 混合配位 烷氧桥联 量子化学计算 |
| 基金项目: |
| Abstract: The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula
C22H28Cl2Cu2N8O11. It consists of dinuclear units with bridging methoxo groups. The ligands 2-amino-pyridine and 2-amino-6-hydroxyl-pyridine are linked to each copper via the pyridine N atoms respectively, providing a square planar
CuN2O2 unit. The ClO4- anions in the title compound are semi-coordinated to copper ion at the distance of 0.265 83(4) nm
(Cu-O(ClO4-). The Cu-Cu distances within the dinuclear units are 0.299 79(9) nm with Cu-O-Cu angles of 102.27(9)°. The structures are stabilized by intramolecular H-bonds between the amino hydrogen atoms and oxygen atoms. Based on crystal data, quantum chemistry calculation on DFT/B3LPY level was used to reveal the electronic structure of the title compound. CCDC: 270807. |
| Keywords: copper(II) complex mixed ligands complex alkoxo-bridged quantum chemistry calculation |
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| 李浩宏,陈之荣,李俊篯,肖伏贤,黄长沧,张文选.烷氧桥联混合配位的双核铜配合物的合成、结构及量子化学计算[J].无机化学学报,2006,22(3):519-524. |
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