KBa2(PO3)5： Properties and Comparison with Isostructural Polyphosphate Compounds  

作　　者：Muhammad Ali Khan 段瑞焕 黎艳艳 刘鹏飞 林华 陈玲 

机构地区：[1]Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences [2]University of Chinese Academy of Sciences

出　　处：《Chinese Journal of Structural Chemistry》2017年第8期1283-1290,共8页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21225104,21233009,21301175,21571020 and 91422303)

摘　　要：A noncentrosymmetric polyphosphate compound, KBa2（PO3）5, 1 was prepared and characterized. It features 1D [PO3]∞ chains of condensed [PO4]^（3-） tetrahedral units. The polycrystalline sample of 1 exhibits second harmonic generation（SHG） response, demonstrating that the activity of the title compound is about 0.6 times that of KDP that is comparable to the isostructural RbBa2（PO3）5（2） and KPb2（PO3）5（3）. Additionally, powder X-ray diffraction（PXRD）, thermal analysis, IR spectroscopy, UV-Vis-near-IR diffuse reflectance spectroscopy, and theoretical calculations have been also studied, and the structure and property comparison among this type of polyphosphates are summarized.A noncentrosymmetric polyphosphate compound, KBa2（PO3）5, 1 was prepared and characterized. It features 1D [PO3]∞ chains of condensed [PO4]^（3-） tetrahedral units. The polycrystalline sample of 1 exhibits second harmonic generation（SHG） response, demonstrating that the activity of the title compound is about 0.6 times that of KDP that is comparable to the isostructural RbBa2（PO3）5（2） and KPb2（PO3）5（3）. Additionally, powder X-ray diffraction（PXRD）, thermal analysis, IR spectroscopy, UV-Vis-near-IR diffuse reflectance spectroscopy, and theoretical calculations have been also studied, and the structure and property comparison among this type of polyphosphates are summarized.

关 键 词：polyphosphate compound thermal analysis second harmonic generation（SHG） optical band gap electronic structure 

分 类 号：TQ126.35[化学工程—无机化工]