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报道一个在水热条件下合成得到的刚性有机胺(质子化的三乙烯二胺)导向的新颖杂化聚合物{[(H2TEDA)(PbI3)NO3].H2O}n(1).用X-射线衍射进行结构确定,并对其进行红外、紫外光谱表征.结构解析表明,标题物晶体属于正交晶系,Pbam空间群,晶胞参数为a=26.884(5)nm,b=7.842 0(16)nm,c=0.951 11(19)nm,V=2.005 2(7)nm3,Z=1,Dc=2.485 mg.m-3,F(000)=1 312,μ(Mokα)=13.026mm-1,最终偏离因子R1=0.065 5,wR2=0.185 4.标题物整个结构由质子化的三乙烯二胺阳离子、一维(PbI3)nn-聚阴离子链以及NO3-离子和水分子组成,其中聚阴离子链(PbI3)nn-由PbI6八面体反式共面形成,NO3-离子和水分子作为抗衡离子和空间填充分子堆积在晶胞内,它们之间靠静电作用结合在一起.还对标题化合物进行了光学带隙测试,结果表明,其带隙为2.38 eV,属于半导体.
A novel hybrid polymer {[(H2TEDA) (PbI3) NO3] .H2O} n (1) directed by a rigid organic amine (protonated triethylenediamine) synthesized under hydrothermal conditions was reported. The structure of the title crystal belongs to orthorhombic system, Pbam space group, the unit cell parameters are a = 26.884 (5) nm, b = 7.842 0 ( 16000 nm, c = 0.951 11 (19) nm, V = 2.005 2 (7) nm3, Z = 1, Dc = 2.485 mg.m -3, F (000) = 1 312, μ (Mokα) = 13.026 mm -1, the final deviation factor R1 = 0.0655, wR2 = 0.185 4. The title structure consists of protonated triethylenediamine cations, one-dimensional (PbI3) nn-polyanionic chains and NO3- ions and water molecules, of which Polyanion chain (PbI3) nn- is formed by the trans-coplanar formation of PbI6 octahedron, NO3- and water molecules accumulate in the unit cell as counter-ions and space-filling molecules, and they are electrostatically combined together. The optical bandgap test of the compound showed that the bandgap was 2.38 eV and belongs to the semiconductor.