无机化学学报
無機化學學報
무궤화학학보
JOURNAL OF INORGANIC CHEMISTRY
2006年
3期
519-524
,共6页
李浩宏%陈之荣%李俊篯%肖伏贤%黄长沧%张文选
李浩宏%陳之榮%李俊篯%肖伏賢%黃長滄%張文選
리호굉%진지영%리준전%초복현%황장창%장문선
铜(Ⅱ)配合物%混合配位%烷氧桥联%量子化学计算
銅(Ⅱ)配閤物%混閤配位%烷氧橋聯%量子化學計算
동(Ⅱ)배합물%혼합배위%완양교련%양자화학계산
copper(Ⅱ) complex%mixed ligands complex%alkoxo-bridged%quantum chemistry calculation
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.
