夹心型铋(Ⅲ)钨酸盐Na_(10){[(M(H_2O)_3)_2(WO_2)_2-(BiW_9O_(33))_2]}·xH_2O的合成、结构及量子化学计算  

Synthesis,crystal structures and quantum chemistry calculation of Na_(10){[(M(H_2O)_3)_2(WO_2)_2(BiW_9O_(33))_2]}·xH_2O constructed from the sandwich-type polyoxoanion of bismuth

作　　者：甘雄 黄元乔[2] 彭正合[2] 

机构地区：[1]钦州学院生物与化学系,广西钦州535000 [2]武汉大学化学与分子科学学院,湖北武汉430072

出　　处：《化学试剂》2010年第10期917-920,927,共5页Chemical Reagents

基　　金：广西省自然科学基金资助项目(0832280)

摘　　要：在常规条件下合成了标题化合物,并通过X-射线单晶结构分析、元素分析、红外光谱对晶体进行表征。结果表明,化合物属于单斜晶系,空间群P2(1)/n。对化合物进行了量子化学计算,用于说明其结构特征。Three one-dimensional（1D） chain-like heteropolyoxotungstates Na10{[（M（H2O）3）2（WO2）2-（BiW9O33）2]}·xH2O（M=MnⅡ,CoⅡ,NiⅡ） were obtained in aqueous solution and were characterized by IR,elemental analysis and single-crystal X-ray analysis.Analytical data identified that the crystals of said complexes belonged to a monoclinic system with a space group of P2（1）/n.Finally,quantum chemistry calculations of complexes were performed to explain the structure characteristics.

关 键 词：多金属氧酸盐 铋 晶体结构 量子化学 

分 类 号：O614[理学—无机化学]