一个新拓扑结构的镧配合物  

A lanthanum(Ⅲ) coordination compound with new topology

作　　者：马步伟[1] 赵振新[1,2] 任国建[2] 王立夫[2] 

机构地区：[1]河南城建学院化学与材料工程学院,河南平顶山467044 [2]南开大学化学学院,天津300071

出　　处：《分子科学学报》2015年第1期76-81,共6页Journal of Molecular Science

基　　金：河南省科技攻关项目(122102210395);平顶山市重点科技攻关项目(2013066)

摘　　要：设计并合成了1,2,5-噻二唑-3,4-二酸(tdzdc),并以其为配体与镧元素通过水热法合成了1种配合物,对其进行了元素分析及单晶衍射结构解析.单晶结构解析表明:标题配合物{[La2(tdzdc)3(H2O)]·4H2O}n为二维层状结构,属于P21空间群,三斜晶系.在该晶体结构中,只有1种配位模式的tdzdc2-配体和2种La3+离子.对于每个tdzdc2-配体,其配位结合位点被3个La3+离子占据,配体分子两侧采用羧酸和环上N原子的螯合配位模式,而配体分子下方采用2个羧酸的螯合配位模式.在空间上,由于晶体的这种连接方式,而形成了三维网络连接,当把由配体连接的3个La3+简化为三角形节点时,得到一个尚未被报道过的三维拓扑结构.在这个三维的空间网格a方向上,存在着一维的孔道,孔道中由水分子占据,当去除掉水分子后经PLATON程序计算其孔隙率为23.5%.The 1,2,5-thiadiazole-3,4-dicarboxylic acid （H2 tdzdc） ligand has been designed and synthe- sized for constructing new coordinated compound. A new lanthanum （ Ⅲ） coordination compound was obtained with H2 tdzdc by the solvothermal reaction and structurally characterized by single-crystal X- ray diffraction. Crystal structure analysis reveals that the tittle compound { [La2 （tdzdc）3 （H2 O）]· 4H2O},, forms a 2-D layer structure, is belong to triclinic crystal system P21 space group. There are a coordination model of tdzdc2- ligands and two kinds of La3＋ ions in the tittle compound. Ligand bind- ing site of tdzdc2- ligands was dominated by three La3＋ ions. Both sides of tdzdc ligand chelate with La atom by carboxylic oxygen atoms with the N atom of ring tdzdc ligand, and La3＋ ions are chelated using two carboxylic atoms. An unreported 3D topology strcture can be gotten when the three La3＋ i- ons connected by ligand were simplified as triangle nodes. In the axis of the three-dimensional space grid, there is a one dimensional channel occupied by water. The porosity of it is up to 23.5% by PLA- TON program calculated after got rid of the water molecules.

关 键 词：镧 拓扑结构 晶体结构 

分 类 号：O641[理学—物理化学]