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Nd(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[Nd(DMF)8·Bi2I9]n(1)(DMF=N,N’-二甲基甲酰胺),用X-射线单晶衍射进行结构确定,并用红外、紫外、荧光光谱表征.根据结构解析,化合物(1)为单斜晶系,P2(1)/c空间群,分子式C24H56Bi2I9N8NdO8,Mr=2289.07,单胞参数:a=1.011 6(2)nm,b=2.246 5(5)nm,c=2.672 8(7)nm,β=97.915(9)°,V=6.016(2)nm3,Z=4,Dc=2.527 g·cm-3,F(000)=4 092,μ(Mo Kα)=11.343 mm-1,最终偏离因子R1=0.071 7,wR2=0.124 3.其结构由[Nd(DMF)8]3+阳离子和无机(Bi2I9)3-聚阴离子组成,它们之间通过多样C—H…I氢键相互作用拓展为一个3-D结构异金属杂化网络.光学吸收谱表明其带隙为2.23 eV,具有半导体性质.荧光光谱表明其荧光发射包含有机和无机的贡献,实现功能复合.
Nd (NO3) 3 · 6H2O, Bi (NO3) 3 · 5H2O and NaI were reacted in DMF to obtain a novel heteroatom lanthanum / bismuth complex [Nd (DMF) 8 · Bi2I9] n , N’-dimethylformamide) were synthesized and characterized by X-ray single crystal diffraction and characterized by IR, UV and FTIR.According to structural analysis, compound (1) is monoclinic, P2 (1) / c space group, molecular formula C24H56Bi2I9N8NdO8, Mr = 2289.07, unit cell parameters: a = 1.011 6 (2) nm, b = 2.246 5 (5) nm, c = 2.672 8 (7) nm, V = 6.016 (2) nm3, Z = 4, Dc = 2.527 g · cm-3, F (000) = 4 092, μ (Mo Kα) = 11.343 mm-1, final deviation factor R1 = 0.071 7, wR2 = 0.124 3. Its structure consists of [Nd (DMF) 8] 3+ cation and inorganic (Bi2I9) 3-polyanion, which expands to a 3-D structural dissimilar metal through the interaction of various C-H ... I hydrogen bonds The optical absorption spectrum shows that the band gap is 2.23 eV, which has the semiconducting properties.The fluorescence spectrum shows that the fluorescence emission contains both organic and inorganic contributions to realize the functional composite.