四乙基铵碳酸氢盐水主-客体加合物的晶体结构研究  

CRYSTAL STRUCTURE OF TETRAETHYL AMMONIUM BICABONATE-WATER HOST-GUEST COMPLEX

作　　者：李奇[1] 胡海燕[1] 

机构地区：[1]北京师范大学化学系,北京100875

出　　处：《北京师范大学学报（自然科学版）》2003年第5期645-649,共5页Journal of Beijing Normal University(Natural Science)

基　　金：国家自然科学基金资助项目 (2 99730 0 5 )

摘　　要：合成了 (C2 H5) 4N+ HCO- 3·H2 O加合物并用X射线单晶衍射解析了其晶体结构 .晶体属单斜晶系 ,P2 1/n空间群 ,a =0 .8186 (1)nm ,b =1.5 330 (3)nm ,c =0 .95 6 2 (3)nm ,β =97.82 (2 )° ,Z =4 ,V =1.1888(5 )nm3,Mr=2 0 9.2 8,ρc=1.16 9g·cm- 3,μ(MοKα) =0 .0 90mm- 1,F(0 0 0 ) =4 6 4,对 1837个独立衍射点的最终偏离因子R =0 .0 4 86 .每个不对称单位由 1个碳酸氢根离子、1个水分子与 1个四乙基铵阳离子组成 .阴离子和水分子之间通过氢键连成皱折纽带 。A new addictive compound, (C 2H 5) 4N +HCO - 3·H 2O, is prepared and characterized by X ray crystallography. Crystal data: space group P 2 1/ n,a =0.818 6(1) nm, b =1.533 0(3) nm, c =0.956 2(3) nm, β =97.82(2)°, Z =4, V =1.188 8(5) nm 3 , M r=209.28, ρ c=1 169 g·cm -3 , μ (MοK α)=0.090 mm -1 , F (000)=464, and R =0.048 6 for 1 837 independent reflections. In the crystal structure of the title compound, each asymmetry unit contains one bicarbonate anion, one tetraethylammonium cation and one water molecule. Bicarbonate anions and water molecules interacting with each other through hydrogen bonds constitute a zigzag composite ribbon and are arranged in un closed channels generated from the tetraethylammonium cations.

关 键 词：四乙基铵碳酸氢盐水 加合物 晶体结构 季铵盐 超分子化学 

分 类 号：O743.5[理学—晶体学] O621.13