化学学报 ›› 2001, Vol. 59 ›› Issue (7): 1158-1163. 上一篇    

研究论文

4,5-二氮芴-9-酮Cu(Ⅱ)配合物的合成、晶体结构和振 动光谱的简正分析

胡娟;汤桦;何水样;赵建社;孙杰;刘建宁   

  1. 西北大学化学系.西安(710069);陕西省物理无机化学重点实验室;中国科学院 上海有机化学研究所.上海(200032);甘肃庆阳师范高等专科学校化学系
  • 发布日期:2001-07-15

Synthsis, crystal structure, and vibration spectrum analysis of Cu(Ⅱ ) complex of 4,5-diazafluorene-9-one

Hu Juan;Tang Hua;He Shuiyang;Zhao Jianshe;Sun Jie;Liu Jianning   

  1. Northwest Univ, Dept Chem.Xian(710069);Shanghai Inst Organ Chem., CAS.Shanghai(200032)
  • Published:2001-07-15

合成了4,5-二氮芴-9-酮的Cu(Ⅱ)配合物。晶体结构分析表明,配合物分子中铜(Ⅱ)分别和来自两配体的四个氮原子及两个水分子中的氧原子配位,处于六配位的配位环境中,两配体基本下于同一平面,两水分子垂直于两配体所在平面,铜(Ⅱ)处于畸变八面体中心。晶体学数据:三斜晶系,P1空间群,a=0.7987(2)nm,b=1.0543(1)nm,c=0.70403(5)nm,α=91.557(8)°,β=96.711(10)°,γ=94.45(1)°.研究了配合物的紫外光谱、荧光光谱,对配体和配合物振动光谱用HyperChem5.11软件包进行理论计算并与实测光谱比较,初步结果帮助解析了过渡金属配合物振动光谱。

关键词: 联吡啶P, 芴酮P, 合成法, 晶体结构, 振动谱, 铜络合物, 理论计算, 简正坐标分析

A novel complex Cu(dafo)2(NO3)2·2H2O was synthesized. The crystal structure data indicate that the Cu(Ⅱ) ion was coordinated with the four nitrogen atoms through two ligands (dafo) respectiviely and two oxygen atoms through two water molecules respectively. The two ligands(dafo) and Cu(Ⅱ) ion were in the same plane, whereas the two water molecules were vertical to the plane. The Cu(Ⅱ) ion was in the center of the malformed octahedron. The crystal data is triclinic, P1 space group, a=0.7987(2)nm, b=1.0543(1)nm, c=0.70403(5)nm, α= 91. 557(8)°, β=96.711(10)°, γ=94.45(1) °.UV and solid flouorescence spectra were analyzed. The vibration spectrum of the complex was calculated with Hyper Chem 5.11 software.

Key words: BIPYRIDINE P, FLUORENONE P, SYNTHESIS METHODS, CRYSTAL STRUCTURE, VIBRATIONAL SPECTRA, COPPER COMPLEX, THEORETICAL CALCULATION, NORMAL COORDINATE ANALYSIS

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