Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)(2)F2Cl and Noncentrosymmetric NaBa4(AlB4O9)(2)Br-3
Yu, HW (Yu, Hongwei); Pan, SL (Pan, Shilie); Wu, HP (Wu, Hongping); Yang, ZH (Yang, Zhihua); Dong, LY (Dong, Lingyun); Su, X (Su, Xin); Zhang, BB (Zhang, Bingbing); Li, HY (Li, Hongyi)
2013
发表期刊CRYSTAL GROWTH & DESIGN
ISSN1528-7483
卷号13期号:8页码:3514-3521
摘要

Two similarly stoichiometric borate halides, NaBa4(AlB4O9)(2)Br-3 and NaBa4(B5O9)(2)F2Cl, have been successfully designed and synthesized, and their structures were determined by single-crystal X-ray diffraction. Their crystal structures feature the [AlB4O9],, and [B5O9], networks, respectively. NaBa4(AlB4O9)(2)Br-3 is noncentrosymmetric and crystallizes in polar space group P4(2)nm, while NaBa4(B5O9)(2)F2Cl is centrosymmetric and crystallizes in monoclinic space group P2(1)/n. Powder second-harmonic generation (SHG) measurements reveal that NaBa4(AlB4O9)(2)Br-3 has an optical non-linearity comparable to that of KH2PO4 (ICDP) and is type I phase-matchable. In addition, infrared and UV-Vis-NIR diffuse reflectance spectroscopy, as well as electronic band structure calculations, were performed on the reported materials.

DOI10.1021/cg4004774
收录类别SCI
WOS记录号WOS:000323020000031
引用统计
被引频次:27[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/2555
专题新疆维吾尔自治区电子信息材料与器件重点实验室
材料物理与化学研究室
通讯作者Pan, SL (Pan, Shilie)
作者单位1.Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China
2.Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式
GB/T 7714
Yu, HW ,Pan, SL ,Wu, HP ,et al. Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)(2)F2Cl and Noncentrosymmetric NaBa4(AlB4O9)(2)Br-3[J]. CRYSTAL GROWTH & DESIGN,2013,13(8):3514-3521.
APA Yu, HW .,Pan, SL .,Wu, HP .,Yang, ZH .,Dong, LY .,...&Li, HY .(2013).Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)(2)F2Cl and Noncentrosymmetric NaBa4(AlB4O9)(2)Br-3.CRYSTAL GROWTH & DESIGN,13(8),3514-3521.
MLA Yu, HW ,et al."Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)(2)F2Cl and Noncentrosymmetric NaBa4(AlB4O9)(2)Br-3".CRYSTAL GROWTH & DESIGN 13.8(2013):3514-3521.
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