Zn2(VO4)(IO3): A Novel Polar Zinc(II) Vanadium(V) Iodate with a Large SHG Response

被引：87

作者：

Yang, Bing-Ping ^{[1
]}

Hu, Chun-Li ^{[1
]}

Xu, Xiang ^{[1
]}

Huang, Chao ^{[1
]}

Mao, Jiang-Gao ^{[1
]}

机构：

[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China

来源：

INORGANIC CHEMISTRY | 2013年 / 52卷 / 09期

基金：

中国国家自然科学基金;

关键词：

NONLINEAR-OPTICAL MATERIALS; STRUCTURE-PROPERTY RELATIONSHIPS; TRANSITION-METAL IODATES; BOND-VALENCE PARAMETERS; CRYSTAL-STRUCTURE; 2ND-HARMONIC GENERATION; LONE-PAIR; NLO PROPERTIES; HYDROTHERMAL PREPARATION; ELECTRONIC-STRUCTURE;

D O I：

10.1021/ic4003324

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The synthesis, crystal and electronic structures, and optical properties of the first zinc(II) vanadium(V) iodate, namely, Zn-2(VO4)(IO3), are reported. Zn-2(VO4)(IO3) crystallizes in the noncentrosymmetric (NCS) and polar space group Pc (No. 7) with a = 5.2714(8) angstrom, b = 10.0402(11) angstrom, c = 5.5070(8) angstrom, beta = 101326(10)degrees, and Z = 2. It displays a novel three-dimensional (3D) network structure composed of ZnO5, ZnO6, VO4, and IO3 polyhedra. One-dimensional (1D) chains of edge sharing ZnO5 polyhedra and ID chains of corner sharing ZnO6 octahedra along the c-axis are interconnected via corner sharing into a two-dimensional (2D) zinc oxide layer, and such layers are bridged by both VO4 tetrahedra and IO3 groups into a 3D network. The polarity in the structure is imparted by the alignment of the stereochemically active lone pairs of the iodate anions along the c-axis. The second harmonics generation (SHG) measurements on powder samples of Zn-2(VO4)(IO3) under 1064-nm laser radiation revealed a large response of similar to 6 X KDP, which is Type I phase matchable Thermal stability and optical properties, as well as theoretical calculations based on DFT methods, were also performed.

引用

页码：5378 / 5384

页数：7

共 93 条

[81] New one-dimensional vanadyl iodates:: Hydrothermal preparation, structures, and NLO properties of A[VO2(IO3)2] (A = K, Rb) and A[(VO)2(IO3)3O2] (A = NH4, Rb, Cs) [J].