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题名: New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22
作者: Wang, Y (Wang, Ying); Pan, SL (Pan, Shilie); Su, X (Su, Xin); Yang, ZH (Yang, Zhihua); Dong, LY (Dong, Lingyun); Zhang, M (Zhang, Min)
通讯作者: Pan,SL
刊名: INORGANIC CHEMISTRY
发表日期: 2013
DOI: 10.1021/ic302246c
卷: 52, 期:3, 页:1488-1495
收录类别: SCI
资助者: National Key Basic Research Program of China 、National Natural Science Foundation of China" 、Main Direction Program of Knowledge Innovation of Chinese Academy of Sciences 、"One Hundred Talents Project Foundation Program" of Chinese Academy of Sciences 、Major Program of Xinjiang Uygur Autonomous Region of China during the 12th Five-Year Plan Period 、"High Technology Research and Development Program" of Xinjiang Uygur Autonomous Region of China
摘要: Two new molybdenum(VI) phosphates, RbMoO2PO4 and Rb4Mo5P2O22, have been synthesized by standard solid-state reactions, and their structures were determined by single-crystal X-ray diffraction. The former is centrosyrnmetric, whereas the latter is noncentrosymmetric and chiral. Their crystal structures both consist of corner- and edge-shared MoO6 octahedra, PO, tetrahedra, and RbOn (n = 8 or 10) polyhedra and exhibit three- and one-dimensional structures, respectively. Powder second-harmonic generation (SHG) measurements revealed an SHG efficiency of approximately 1.4 X KH2PO4 (KDP) for Rb4Mo5P2O22. Thermal analysis, infrared and UV-vis-NIR diffuse reflectance spectroscopy, and electronic band structure calculations were also performed on the reported materials. Crystal data are the following: RbMoO2PO4, orthorhombic, space group Fddd (No. 70), a = 11.012(5) angstrom, b = 12.403(5) angstrom, c = 15.839(7) angstrom, V = 2163.3(16) angstrom(3), and Z = 16; Rb4Mo5P2O22, orthorhombic, space group C222(1) (No. 20), a = 6.5300(5) angstrom, b = 19.7834(18) angstrom, c = 17.3451(15) angstrom, V = 2240.7(3) angstrom(3), and Z = 4.
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/2551
Appears in Collections:新疆维吾尔自治区电子信息材料与器件重点实验室_期刊论文

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作者单位: Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China

Recommended Citation:
Wang, Y ,Pan, SL ,Su, X ,et al. New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22[J]. INORGANIC CHEMISTRY,2013,52(3):1488-1495.
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文件名: New Molybdenum(VI) Phosphates Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22.pdf
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