New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22
Wang, Y (Wang, Ying); Pan, SL (Pan, Shilie); Su, X (Su, Xin); Yang, ZH (Yang, Zhihua); Dong, LY (Dong, Lingyun); Zhang, M (Zhang, Min)
2013
Source PublicationINORGANIC CHEMISTRY
ISSN0020-1669
Volume52Issue:3Pages:1488-1495
Abstract

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.

DOI10.1021/ic302246c
Indexed BySCI
WOS IDWOS:000314627700038
Citation statistics
Cited Times:17[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/2551
Collection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
Corresponding AuthorPan, SL (Pan, Shilie)
AffiliationChinese 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
GB/T 7714
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.
APA Wang, Y ,Pan, SL ,Su, X ,Yang, ZH ,Dong, LY ,&Zhang, M .(2013).New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22.INORGANIC CHEMISTRY,52(3),1488-1495.
MLA Wang, Y ,et al."New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22".INORGANIC CHEMISTRY 52.3(2013):1488-1495.
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