### 4,5-二氮芴-9-酮Cu(Ⅱ),Zn(Ⅱ)配合物的合成、晶体结构、热分析及理论计算

1. 西北大学化学系, 陕西省物理无机化学重点实验室, 西安, 710069
• 投稿日期:2004-03-01 修回日期:2004-07-24 发布日期:2014-02-17
• 通讯作者: 赵建社,E-mail:jszhao@nwu.edu.cn E-mail:jszhao@nwu.edu.cn
• 基金资助:
国家自然科学基金(No.20371039)、国家重点基础研究发展计划(973计划)(No.2003CB214606)、陕西省教育厅省级重点实验室科研与建设计划(No.03JS006)、陕西省教育厅专项基金(No.04JK143)资助项目.

### Synthesis, Crystal Structure, Thermal Analysis and Theoretical Computation of Cu(Ⅱ) and Zn(Ⅱ) Complexes with 4,5-Diazafluorene-9-one

ZHANG Rong-Lan, HU Juan, ZHAO Jian-She, HE Shui-Yang, LIU Jian-Ning, SHI Qi-Zhen

1. Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Department of Chemistry, Northwest University, Xi'an 710069
• Received:2004-03-01 Revised:2004-07-24 Published:2014-02-17

Two novel complexes [Cu(dafo)2(H2O)2] (NO3)2 and [Zn(dafo)2(H2O) 2] (NO3)2 were synthesized. Their structures were determined by single crystal X-ray diffraction analysis. The crystal structure data indicate that the Cu(Ⅱ) and Zn(Ⅱ) ions are coordinated with the four nitrogen atoms from the two ligands (dafo) and two oxygen atoms from the two water molecules, respectively. The two ligands (dafo), Cu(Ⅱ) and Zn(Ⅱ) ions are in the same plane, the two water molecules are vertical to the plane, the Cu(Ⅱ) ion is at the center of the malformed octahedron, and Zn(Ⅱ) ion is at the center of the normal octahedron. The constitutes of the two complexes were proved by elemental analysis, IR spectra and thermal analysis. On the basis of the experimentation, the two complexes were computed by DFT-B3LYP/LANL2DZ in Gaussian-98w.