KPV2 O8:一种具有非线性光学性质的钒磷酸盐  

KPV2O8:a vanadium phosphate with nonlinear optical properties

作　　者：蒋中齐 符继红[1] 陈兆慧 JIANG Zhongqi;FU Jihong;CHEN Zhaohui(College of Chemistry and Chemical Engineering,Xinjiang University,Urumqi 830046,Xinjiang,China)

机构地区：[1]新疆大学化学与化工学院,新疆乌鲁木齐830046

出　　处：《化学研究》2020年第6期471-478,F0003,共9页Chemical Research

基　　金：Natural Science Foundation of Xinjiang Uygur Autono-mous Region of China(2017Q013,2018D01C045).

摘　　要：采用水热法合成了KPV2O8单晶,并通过单晶X射线衍射确定其结构.KPV2O8结晶于非中心对称正交晶系,空间群为Pna2(1),晶格参数为:a=13.914(4)Å、b=4.7441(12)Å、c=19.923(5)Å和Z=2.PO4四面体、VO5锥体和KO11多面体,通过共享角和边连接成三维框架结构,其中K^+阳离子填充在孔道中.KPV2O8多晶粉末的倍频效应约为0.5倍的KH2PO4(KDP).计算结果表明,SHG的强度主要源于PO4和VO5多面体沿c轴的协同作用.同时,对该化合物进行了X射线粉末衍射、热重-差示扫描量热法和紫外-可见-近红外漫反射光谱等分析.Single crystal of KPV2O8 has been synthesized via hydrothermal method and its structure was determined by single crystal X-ray diffraction.KPV2O8 crystallizes in the noncentrosymmetric(NCS)orthorhombic space group Pna2(1)with lattice parameters a=13.914(4)Å,b=4.7441(12)Å,c=19.923(5)Å,and Z=2.Its three-dimensional(3D)framework is constructed by corner and edge-sharing PO4 tetrahedra,VO5 pyramids and KO11 polyhedra with K^+cations filling in the tunnels.Polycrystalline of KPV2O8 displays second harmonic generation(SHG)intensity about 0.5×KH2PO4(KDP).The dipole moments calculation suggested that the SHG response originated from the synergistic effect of PO4 and VO5 polyhedra along the caxis.Powder X-ray diffraction(XRD),TG/DSC analysis and UV-vis-IR diffuse reflectance were performed for the title compound.

关 键 词：水热法 晶体结构 SHG 非线性光学材料 

分 类 号：O734[理学—晶体学]