(C10H9N2)3·PMo12O40配合物晶体的合成和漫反射光谱分析

采用水热法合成了一种新的配合物晶体(C₁₀H₉N₂)₃·PMo₁₂O₄₀（C₁₀H₉N₂为2,2'-联吡啶基）。用IR、X-射线单晶衍射、X-射线能谱和微量元素分析对其化学组分和结构进行了分析。结果表明，配合物的晶体结构属于三斜晶系，空间群P-1，晶胞参数a=11.851(2)A,b=12.771(3)A,c=19.034(4)A，α=90.2(3)°，β=90.5(3)°，γ=112.6(3)°,V=2660.0(9)A³，Z=2，Dc=2.864mg/m³，μ(Kα)=2.871mm^-1，F(000)=2176，R₁=0.0416,ωR₂=0.1327。采用TG和UV-Vis-NIR漫反射光谱分析配合物晶体的热稳定性和导电性。该晶体在250℃以下能够稳定存在，光学能隙为0.8eV，属于半导体材料。

Synthesis and diffuse reflection spectra of a novel coordination compound (C10H9N2)3· PMo12O40

A novel coordination compound (C₁₀H₉N₂)₃·(PMo₁₂O₄₀), where C₁₀H₉N₂=2,2'-bipyridyl, has been synthesized by a solvothermal reaction. The compound was characterized by IR, energy dispersive X-ray spectroscopy (EDS), elemental analysis and single crystal X-ray diffraction. The crystal is triclinic, space group P-1 with a=11.851(2)A,b=12.771(3)A,c=19.034(4)A,α=90.23(3)°,β=90.50(3)°,γ=112.57(3)°,V=26600(9)A³,Z=2,Dc=2.864mg/m³,μ(Mo Kα)=2.871mm^-1,F(000)=2176,R₁=0.0416,ωR₂=0.1327. Thermogravimetric analysis of the crystalline complex showed that (C₁₀H₉N₂)3·(PMo₁₂O₄₀) is thermally stable up to 250℃. UV-Visible-NIR diffuse reflection spectra of the powder sample suggested that the title compound is a semicon ductor with band gap of 0.8eV.