| 基于2-苯基-1H-1,3,7,8-四-氮杂环戊二烯并[l]菲的Pb(Ⅱ)、Co(Ⅱ)配合物的晶体结构与发光 | |
| Crystal Structure and Photoluminescent Property of Pb(Ⅱ) and Co(Ⅱ) Complex Based on 2-Phenyl-1H-1,3,7,8-tetra-azacyclopenta[l]phenanthrene | |
| 摘要: 采用水热法合成2种配合物[Pb2(ptcp)2(DDA)](NO3)2·2H2O (1)和[Co(ptcp)2(DDA)(H2O)]·0.5H2DDA·H2O (2)(ptcp=2-苯基-1H-1,3,7,8-四-氮杂环戊二烯并[l]菲, H2DDA=1,12-十二烷二酸),并采用单晶X-射线衍射、元素分析、红外光谱、X-射线粉末衍射和理论计算对其进行了结构表征.配合物1和2分别呈现双核和单核结构, 通过π-π和氢键作用形成二维和三维结构.此外, 配合物1具有较好的发光性质.利用Gaussian09W程序, 采用B3LYP/LANL2DZ方法对配合物1进行自然键轨道(NBO)分析.结果表明配位原子与Pb(Ⅱ)离子之间存在明显的共价相互作用. | |
| 关键词: 铅 钴 2-苯基-1H-1,3,7,8-四-氮杂环戊二烯并[l]菲 1,12-十二烷二酸 发光 | |
| 基金项目: 高校新世纪优秀人才计划(No.NCET-10-0176);江苏大学研究生科研创新计划(No.CXZZ11_0555)资助项目. | |
| Abstract: Two complexes, [Pb2(ptcp)2(DDA)](NO3)2·2H2O (1) and [Co(ptcp)2(DDA)(H2O)]·0.5H2DDA·H2O (2) (ptcp=2-phenyl-1H-1,3,7,8-tetra-azacyclopenta[l]phenanthrene, H2DDA=1,12-dodecanedioic acid), have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses, IR, powder X-ray diffraction and theoretical calculations. Complexes 1 and 2 exhibit binuclear and mononuclear structure, which are further extended to two-dimensional and three-dimensional structure through π-π stacking interactions and hydrogen bonds, respectively. Furthermore, complex 1 exhibits excellent photoluminescence at room temperature in the solid state. Natural bond orbital (NBO) analysis was performed by the B3LYP/LANL2DZ method in Gaussian 09W Program. The calculation results show the obvious covalent interaction between the coordinated atoms and Pb(Ⅱ) ion. CCDC: 997822, 1; 997823, 2. | |
| Keywords: lead cobalt 2-phenyl-1H-1,3,7,8-tetra-azacyclopenta[l]phenanthrene 1,12-dodecanedioic acid photoluminescent | |
| 投稿时间：2014-05-04 修订日期：2014-07-21 | |
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| 李秀颖,胡波,车广波,闫永胜,关庆丰,李春香.基于2-苯基-1H-1,3,7,8-四-氮杂环戊二烯并[l]菲的Pb(Ⅱ)、Co(Ⅱ)配合物的晶体结构与发光[J].无机化学学报,2014,30(12):2818-2824. | |
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