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化学学报
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化学学报 ›› 2004, Vol. 62 ›› Issue (11): 1014-1018. 上一篇    下一篇

研究论文

苯三甲酸-水分子为主体晶格的四丁基铵层状包合物的合成与晶体结构

罗素蓉1, 张锦楠2, 石梅1, 李奇1   

  1. 1. 北京师范大学化学系, 北京, 100875;
    2. 首都医科大学化学药理学系, 北京, 100054
  • 投稿日期:2003-08-14 修回日期:2004-02-18 发布日期:2014-02-17
  • 通讯作者: 李奇,E-mail:qili@abnu.edu.cn E-mail:qili@abnu.edu.cn
  • 基金资助:
    国家自然科学基金(No.29973005)资助项目.

Synthesis and Crystal Structure of Layer-type Inclusion Compound of Tetrabutylammonium Trimesate and Water

LUO Su-Rong1, ZHANG Jin-Nan2, SHI Mei1, LI Qi1   

  1. 1. Department of Chemistry, Beijing Normal University, Beijing 100875;
    2. Department of Chemistry and Pharmacology, Capital University of Medical Science, Beijing 100054
  • Received:2003-08-14 Revised:2004-02-18 Published:2014-02-17

PDF

268

被引次数

23

合成了一种新颖的苯三甲酸-水分子为主体晶格的四丁基铵氢键包合物,(C4H9)4N+[1,3,5-C6H3(COOH)2(COO-)]·2H2O,并进行了X射线晶体结构分析.晶体为单斜晶系,P21/c空间群,a=1.3621(2)nm,b=1.3691(2)nm,c=1.6094(2)nm,β=109.665(3)°,V=2.8261(7)nm3,Z=4,R1=0.0508,wR=0.1217.包合物中,苯三甲酸阴离子之间通过3位与5位羧基形成的O-H…O分子间氢键键连成沿b轴无限延伸的锯齿形长链.位于长链较大空隙处的单一氢键键连的水分子二聚体,同时与两酸根的羧基生成给体氢键,形成一条苯三甲酸阴离子-水分子复合宽带.位于宽带外侧的1位羧基与相邻宽带的水分子生成的氯键,将这些宽带连成平行于(001)面的层状氢键主体晶格.四丁基铵阳离子层填充在相邻主体晶格的层间空隙处,构成"三明治"式夹层结构的包合物.

关键词: 苯三甲酸, 季铵阳离子, 氢键, 包合物, 晶体结构

A new layer type inclusion complex, (C4H9)4N+[1,3,5 C6H3(COOH)2(COO-)]·2H2O, has been prepared and characterized by X-ray crystallography. Crystal data: monoclinic, P21/c, a=1.3621(2) nm, b=1.3691(2) nm, c=1, 6094(2) nm, β=109.665 (3)°, V=2. 8261(7) nm 3, Z=4, R1=0. 0508, wR=0. 1217. In the crystal structure of the title compound, trimesate anions are linked by single O-H...O hydrogen bonds to form a zigzag ribbon parallel to the b axis. The carboxylates C(3) and C(5) of two neighboring trimesate anions are further consolidated by a bridging water dimer formed by two independent water molecules via a single hydrogen bond to generate a trimesate water wide chain. Further hydrogen bonds between water dimer and carboxylate C(1) of adjacent ribbon are formed and two dimensional puckered layer parallel to the (001) family of planes is thus formed. The tetrabutylammonium cationic layers are located at c=0 and c=1/2 in the unit cell and sandwiched between adjacent hydrogen bonded trimesate water layers at c=1/4 and 3/4.

Key words: trimesic acid, tetraalkylammonium cation, hydrogen-bonding, inclusion compound, crystal structure