Comparing the Structures of Two Allomorphic Polyoxotungstates and the Difference in Weak Interactions by Thermal-dependent 2D-COS IR to Identify  

作　　者：刘婷玉 陈义平 黄晓辉 陈宁 黄梦梦 孙燕琼 

机构地区：[1]College of Chemistry of Chemistry,Fuzhou University [2]State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences

出　　处：《Chinese Journal of Structural Chemistry》2015年第11期1665-1674,共10页结构化学（英文）

基　　金：supported by the NNSFC(No.21473030,1371033);Fujian Provincial Natural Science Foundation(2013J01042);the Open Fund of State Key Laboratory of Structural Chemistry(20130015)

摘　　要：A three-dimensional （3D） Keggin-type heteropolytungstate{Zn（phen）3}3[ZnW12O40]·9H2O 1 （phen = 1,10-phenanthroline） has been synthesized through a conventional hydrothermal synthesis and was characterized by X-ray single-crystal diffraction analysis, X-ray powder diffraction （XRD）, IR, UV-DRS, thermogravimetric analysis （TGA）, thermal-dependent 2D-IR correlation spectroscopy （2D-COS IR） and Raman spectrum. Crystal data for compound 1： trigonal system, space group R3 with a = b = 25.268（4）, c = 17.462（5） A, ）, = 120°, V= 9655（4） A3 and Z = 3. Compound 1 is allomorphic to {Co（phen）3}3[CoW12O40]·9H2O 2, which has been reported by Feng Chai et al. In compound 2, its prominent feature is that the decisive role of water molecules （O-H…O） builds a 3D supramolecular structure. However, in the structure of compound 1, the interlayer space is filled by Zn（phen）3]2＋ cations which linked the layers via C-H…O hydrogen bonding interactions to construct a three-dimensional framework. Two compounds are different in weak interactions, so we identify them by Thermal-dependent 2D-COS IR. Moreover, the fluorescence of compound 1 was also described.A three-dimensional （3D） Keggin-type heteropolytungstate{Zn（phen）3}3[ZnW12O40]·9H2O 1 （phen = 1,10-phenanthroline） has been synthesized through a conventional hydrothermal synthesis and was characterized by X-ray single-crystal diffraction analysis, X-ray powder diffraction （XRD）, IR, UV-DRS, thermogravimetric analysis （TGA）, thermal-dependent 2D-IR correlation spectroscopy （2D-COS IR） and Raman spectrum. Crystal data for compound 1： trigonal system, space group R3 with a = b = 25.268（4）, c = 17.462（5） A, ）, = 120°, V= 9655（4） A3 and Z = 3. Compound 1 is allomorphic to {Co（phen）3}3[CoW12O40]·9H2O 2, which has been reported by Feng Chai et al. In compound 2, its prominent feature is that the decisive role of water molecules （O-H…O） builds a 3D supramolecular structure. However, in the structure of compound 1, the interlayer space is filled by Zn（phen）3]2＋ cations which linked the layers via C-H…O hydrogen bonding interactions to construct a three-dimensional framework. Two compounds are different in weak interactions, so we identify them by Thermal-dependent 2D-COS IR. Moreover, the fluorescence of compound 1 was also described.

关 键 词：Keggin-type polyoxotungstates hydrothermal synthesis thermal-dependent 2D-IR correlation spectroscopy Raman spectra luminescence 

分 类 号：O621.13[理学—有机化学]