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新型K2SrVB5O10、Sr3V2B10O23、Li3NaBaB6O12和Na3ZnB5O10化合物的合成、结构及性能研究
陈颂杰
学位类型硕士
导师潘世烈
2012-05-20
学位授予单位中国科学院研究生院
学位授予地点北京
学位专业材料物理与化学
关键词硼酸盐 非线性光学晶体 晶体结构 高温溶液法
摘要本文通过在K2O–SrO–V2O5–B2O3、Li2O–Na2O–BaO–B2O3和Na2O–ZnO–B2O3体系中探索,得到了四种新化合物:K2SrVB5O10、Sr3V2B10O23、Li3NaBaB6O12和Na3ZnB5O10。并对这四种化合物进行了固相合成、晶体生长、结构解析和性能表征等研究工作。 1. 首次通过高温溶液法长出了一种新型非线性光学晶体K2SrVB5O10,该化合物属于单斜晶系,空间群为P21 (No. 4),晶胞参数为a = 6.618(3) Å,b = 8.378(4) Å,c = 9.974(5) Å,β = 99.789(6)°,V = 545.0(5) Å3,Z = 2。该晶体在空间呈三维网络结构,其中含有VO4基团和双环B5O11聚阴离子,并相互连接成曲折的钒硼酸[VO3B5O9]4–阴离子层,K+和Sr2+离子分布在钒硼酸阴离子层内和层间。非线性光学性能测试表明K2SrVB5O10的粉末倍频效应约为一倍KH2PO4 (KDP)。 2. 通过高温溶液法长出了一种钒硼酸盐晶体Sr3V2B12O23,该化合物属于三斜晶系,空间群为P (No. 2),晶胞参数为 a ,b = 11.5945(2) Å,c = 13.0463(3) Å,α = 114.4230(10)°,β = 103.3350(10)°,γ = 90.4440(10)°,V = 886.35(3) Å3,Z = 2。该化合物结构是由VO4和VO5基团,双环B5O11聚阴离子,和分布在空隙中的Sr原子组成。VO4和VO5基团,双环B5O11聚阴离子相互连接组成钒硼酸[V2B10O23]6–阴离子层。= 6.6590(1) Å 3. 通过高温溶液法长出了一种硼酸锂钠钡晶体Li3NaBaB6O12,该化合物属于三方晶系,空间群为R (No. 148),晶胞参数为a = 9.462(9) Å,b = 9.462(9) Å,c = 18.71(3) Å,V = 1451(3) Å3,Z = 6。该晶体在空间呈三维网络结构,由孤立的环状B12O24基团,NaO6,LiO4和BaO9多面体组成。Na+离子和B12O24基团组成二维[Na2B12O24]∞阴离子层,Li+和Ba2+离子分布在层间起到平衡键价的作用。紫外可见近红外光谱表明Li3NaBaB6O12的紫外截止边低于190 nm。 4. 通过高温溶液法长出了一种新相Na3ZnB5O10晶体,该化合物为正交晶系,空间群为Pbca (No. 61),晶胞参数为a = 7.8923(4) Å,b = 12.2437(7) Å,c = 18.0636(11) Å,V = 1745.50(17) Å3,Z = 8。该晶体在空间呈三维网络结构,晶体中含有孤立的环状B5O10基团,Zn2+离子和B5O10基团组成二维锌硼氧[ZnB5O10]∞阴离子层,Na+离子分布在锌硼氧阴离子层间。紫外可见近红外光谱表明Na3ZnB5O10的紫外截止边低于190 nm。
其他摘要In this dissertation, we have studied on the systerms of K2O–SrO–V2O5–B2O3, Li2O–Na2O–BaO–B2O3 and Na2O–ZnO–B2O3, and obtained four new compounds: K2SrVB5O10, Sr3V2B10O23, Li3NaBaB6O12 and Na3ZnB5O10. The major work consists of synthesis, crystal growth, crystal structure determination and measurement of properties. 1. A new nonlinear optical crystal, K2SrVB5O10, has been grown by high temperature solution method. K2SrVB5O10 crystallizes in monoclinic space group P21 (No. 4) with lattice constants a = 6.618(3) Å, b = 8.378(4) Å, c = 9.974(5) Å, β = 99.789(6)°, V = 545.0(5) Å3, Z = 2. The structure consists of zigzag [VO3B5O9]4– anion layers stacked along c axis with K+ and Sr2+ cations serving to fill the void spaces via electrostatic interactions to form the three–dimensional network structure. NLO measurement shows that the second harmonic generation (SHG) effect of K2SrVB5O12 pure powder is similar to that of KH2PO4 (KDP). 2. A new crystal, Sr3V2B12O23, has been grown by high temperature solution method. Sr3V2B12O23 crystallizes in triclinic space group P (No. 2) with lattice constants a = 6.6590(1) Å, b = 11.5945(2) Å, c = 13.0463(3) Å, α = 114.4230(10)°, β = 103.3350(10)°, γ = 90.4440(10)°, V = 886.35(3) Å3, Z = 2. It is composed of VO4 units, VO5 units and two–ring B5O11 groups, with Sr2+ cations in the interlayers via electrostatic interactions to form the three–dimensional network structure. The VO4 units, VO5 units and two–ring B5O11 groups interconnect into vanodoborate [V2B10O23]6– anion layers. 3. A new compound, Li3NaBaB6O12, was first synthesized by high temperature solution method. Li3NaBaB6O12 crystallizes in trigonal space group R V = 1451(3) Å3, Z = 6. The crystal structure of Li3NaBaB6O12 is a complicated three-dimensional (3D) network composed of the isolated twelve–membered cyclic B12O24 groups interconnected by NaO6, LiO4 and BaO9 polyhedra. Na+ cations and B12O24 groups interconnect into [Na2B12O24]∞ anion layers. Li+ and Ba2+ cations are in the interlayer and blance charge. UV–Vis–NIR diffuse–reflectance spectrum shows that Li3NaBaB6O12 exhibits a short UV cutoff edge below 190 nm. (No. 148) with lattice constants a = 9.462(9) Å, c = 18.71(3) Å, 4. A new phase of the compound, Na3ZnB5O10was synthesized by high temperature solution method. Na3ZnB5O10 crystallizes in orthorhombic space group Pbca (No. 61) with lattice constants a = 7.8923(4) Å, b = 12.2437(7) Å, c = 18.0636(11) Å, V = 1745.50(17) Å3, Z = 8. The Na3ZnB5O10 structure exhibits that the isolated B5O10 groups are bridged by ZnO4 tetrahedra to form [ZnB5O10]∞ anion layers and NaOn (n = 5, 7) polyhedra through the vertex oxygen atoms to form an infinite three–dimensional structure. Na3ZnB5O10 exhibits a short UV cutoff edge below 190 nm.,
文献类型学位论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4382
专题材料物理与化学研究室
作者单位中国科学院新疆理化技术研究所
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陈颂杰. 新型K2SrVB5O10、Sr3V2B10O23、Li3NaBaB6O12和Na3ZnB5O10化合物的合成、结构及性能研究[D]. 北京. 中国科学院研究生院,2012.
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