一个镧铋异金属杂化分子[Nd(DMF)8·Bi2I9]n的结构与性能.docVIP

一个镧/铋异金属杂化分子[(DMF)8·Bi2I9]n的结构与性能 摘要：(NO3)3·6H2O、Bi(NO3)3·5H2O和NaI在DMF溶液中反应得到一个新颖镧/铋异金属杂化分子[(DMF)8·Bi2I9]n (1)（DMF=N,N-二甲基甲酰胺），用X－射线结构红外光谱表征。晶系，P2空间群，C24H56Bi2I9N8NdO8，Mr= 2289.07，单胞参数：a = 10.116(2) ?, b = 22.465(5)?, c = 26.728(7)?, β= 97.915(9)°, V= 6016(2)?3, Z=4, Dc=2.527mg/m3, F(000)= 4092, μ(Mokα)= 11.343mm-1，最终偏离因子R1 =0.0717，wR2=0.1243。结构由[Nd(DMF)8]3+阳离子和无机2I9)3-聚阴离子组成，它们之间通过C–H···I氢键相互作用一个3-D结构杂化。ismuth heterometallics hybrid molecule Wu Xiu-Juan （, Fuzhou University, Fuzhou, Fujian 350002, China） Abastact: A new lanthanide/bismuth heterometallics hybrid molecule [Nd(DMF)8·Bi2I9]n(1) (DMF= N,N-dimethyl formamide) was synthesized with Nd(NO3)3·6H2O, Bi(NO3)3·5H2O and NaI as starting materials in the DMF solvent. Its structure was determined by means of X-ray single diffraction and was further characterized with XRD, IR, UV-Vis spectrum. The title compound crystallizes in monoclinic system, space group P2(1)/c with a = 10.116(2) ?, b = 22.465(5)?, c = 26.728(7)?, β= 97.915(9)°, V= 6016(2)?3, C24H56Bi2I9N8NdO8, Mr= 2289.07, Z=4, Dc=2.527mg/m3, F(000)= 4092, μ(Mokα)= 11.343mm-1, the final R1 =0.0717, wR2=0.1243. The structure of [Nd(DMF)8·Bi2I9]n(1) consists of 收稿日期：2013-12-12 通讯作者：吴秀娟（1965-），实验师，主要从事功能配合物化学研究JA10007） complex cations [Nd(DMF)8]3+ and polyanion (Bi2I9)3-, a 3-D heterometallics hybrid framework was constructed based on the versatile C–H···I hydrogen bonds in the crystal. Its adsorption spectrum suggests its semiconductor nature with band gap of 2.23eV, and its fluorescence were the contribution of organic and inorganic moieties, so conclusion could be drawn that the hybrid can reflect the functions of two moieties. Keywords: Heterometallic; Lanthanide; Bismuth iodide; Hydrogen bond 最近，有机-无机杂化丰富的拓扑结构潜在的应用引起人们金属卤有机-无机杂化良好的非线性、磁性在信息储存和传递、、分子开关等领域展示了诱人的应用前景。金属卤有机-无机杂化主族金属卤化物研究处于起步阶段第四主族金属铋的无毒性及电子数目多从而使得铋离子的配位形式多样，形成结构新颖、性能特殊的功能分子。4f外层屏蔽电子层结构、较大的离子半径和亲氧性强等特点，使其具有优异的光、电、磁性能，近年来已经成为一类重要的功能分子，因此镧系功能材料格外引人注目[11-12]。将镧系与主族金属杂化实现功能复合有望获得新颖的多功能的新型分子。目前，镧/金