摘要
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.
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 C22H28C12Cu2N8O11. 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.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
2006年第3期519-524,共6页
Chinese Journal of Inorganic Chemistry
基金
福建省教育厅基金项目资助(No.JB04016,JB04017)
福州大学科研训练计划(No.SRTP,03100)资助。
关键词
铜(Ⅱ)配合物
混合配位
烷氧桥联
量子化学计算
copper(Ⅱ) complex
mixed ligands complex
alkoxo-bridged
quantum chemistry calculation