Sr4B10O18(OH)2•2H2O: a new UV nonlinear optical material with a [B10O23]16- building block

被引：54
|
作者：
Zhang, Fangyuan [1 ,2 ]
Jing, Qun [1 ,3 ]
Zhang, Fangfang [1 ]
Pan, Shilie [1 ]
Yang, Zhihua [1 ]
Han, Jian [1 ]
Zhang, Min [1 ]
Han, Shujuan [1 ]
机构：
[1] Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Xinjiang Key Lab Elect Informat Mat & Devices, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China
[2] Xinjiang Univ, Coll Chem & Chem Engn, Urumqi 830046, Peoples R China
[3] Univ Chinese Acad Sci, Beijing 100049, Peoples R China
来源：
JOURNAL OF MATERIALS CHEMISTRY C | 2014年 / 2卷 / 04期
基金：
中国国家自然科学基金;
关键词：
ALKALINE BERYLLIUM BORATE; BOND-VALENCE PARAMETERS; CRYSTAL-STRUCTURE; 2ND-HARMONIC GENERATION; HYDROTHERMAL SYNTHESIS; ELECTRONIC-STRUCTURE; SPECTRUM PROPERTIES; ABSORPTION-EDGE; HYDROGEN-BONDS; GROWTH;
D O I：
10.1039/c3tc31420k
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A new ultraviolet (UV) nonlinear optical (NLO) crystal Sr4B10O18(OH)2 center dot 2H(2)O has been synthesized using the hydrothermal method. It crystallizes in the triclinic space group P1 (no. 1) with lattice constants a = 6.4991(6) angstrom, b = 6.5059(6)angstrom, c = 11.3175(11)angstrom, alpha = 88.458(6)degrees, beta = 86.019(5)degrees, gamma = 61.351(5)degrees, Z = 1. The fundamental building block of the structure is a [B10O23](16-) unit which consists of two stereo-isomeric configurations of [B5O12](9-) groups. The structure exhibits a (infinity)[B10O18](6-) three dimensional network with 9-membered tunnels along the b-axis where the Sr cation, OH anion and H2O molecule are located. Powder second harmonic generation (SHG) measurements indicate that Sr4B10O18(OH)(2)center dot 2H(2)O is type-I phase-matchable and displays a SHG response of about 2 x KH2PO4. The UV-Vis-NIR diffuse reflectance spectrum shows that its cutoff edge is lower than 190 nm. Density functional theory (DFT) calculations on electronic structures and SHG coefficients confirm the experimental results.
引用
收藏
页码：667 / 674
页数：8
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