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。
Two complexes, [Pb2（ptcp）2（DDA）] （NO3）2 ·2H2O （1） and [Co（ptcp）z（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 throughπ -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.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
2014年第12期2818-2824,共7页
Chinese Journal of Inorganic Chemistry
基金
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
