[Ni(2,2'-bpy)_3]MoO_4·7.5H_2O的水热合成和晶体结构  

Hydrothermal Synthesis and Crystal Structure of [Ni(2,2'-bpy)_3]MoO_47·7.5H_2O

作　　者：曾庆新[1] 杨国昱[1,3] 徐吉庆[2] 

机构地区：[1]中国科学院福建物质结构研究所,结构化学国家重点实验室,配位与水热化学研究组 [2]吉林大学化学系 [3]南京大学配位化学国家重点实验室,南京210093

出　　处：《Chinese Journal of Structural Chemistry》2003年第3期336-340,共5页结构化学（英文）

基　　金：国家自然科学基金(批准号:20271050 和20171045);国家财政部;中科院"引进国外杰出人才"计划专项基金;高等学校博士学科点专项科研基金资助。

摘　　要：合成了一种新的钼-氧化合物[Ni(2,2-bpy)3]MoO47.5H2O,用元素分析、IR和TGA- DTA等手段进行了表征,并用X射线衍射法测定了晶体结构。结果表明,该化合物属于单斜晶系,C2/c空间群,a = 23.019(5),b = 13.967(3),c = 23.510(5) ,b = 107.28(3),V = 7217(3) 3,Z = 8,Dc = 1.514 g/cm3,F(000) = 3384,Mr = 822.32,m (MoKa) = 0.934 mm-1。结构由直接法解出,全距阵最小二乘法修正,最终偏离因子R = 0.0358,wR = 0.0797。结构测定表明,结构中阴离子MoO42-与配位阳离子[Ni(2,2-bpy)3]2+之间靠静电作用相结合,同时与H2O通过氢键构成无机阴离子层。The title compound [Ni(2,2-bpy)3]MoO47.5H2O was hydrothermally synthesized and its structure was determined by single-crystal X-ray analysis. This compound crystallizes in monoclinic crystal system, space group C2/c with a = 23.019(5), b = 13.967(3), c = 23.510(5) , b = 107.28(3), T = 293(2) K, V = 7217(3) 3, Z = 8, Dc = 1.514 g/cm3, F(000) = 3384, Mr = 822.32, m(MoKa) = 0.934mm-1, R = 0.0357, wR = 0.0794 (w = 1/[s2(Fo2) + (0.0407P)2] where P = (Fo2 + 2Fc2)/3), S = 0.910, (Δ/s)max = 0.002, (Δr)max = 0.321 and (Δr)min = 0.625 e/3. The structure constructs from MoO42- anions, Ni(2,2-bpy)32+ cations and crystallographic water molecules. There exists electrostatic interaction between the anions and cations. In addition, the anions interact with the crystallographic water molecules via hydrogen bonds and further form inorganic layer.

关 键 词：[Ni(2 2'-bpy)3]MoO4·7.5H2O 水热合成 晶体结构 铝 金属氧化物 钼酸盐 X射线衍射法 配位化合物 镍 

分 类 号：O72[理学—晶体学]