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  

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

作　　者：罗素蓉[1] 张锦楠[2] 石梅[1] 李奇[1] 

机构地区：[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

出　　处：《化学学报》2004年第11期1014-1018,M003,共6页Acta Chimica Sinica

基　　金：国家自然科学基金 (No.2 99730 0 5)资助项目

摘　　要：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) 4 N+ [1,3 ,5 C6H3 (COOH) 2 (COO-) ]·2H2 O ,并进行了X射线晶体结构分析 .晶体为单斜晶系 ,P2 1 /c空间群 ,a =1 3 62 1( 2 )nm ,b =1 3 691( 2 )nm ,c =1 60 94( 2 )nm ,β =10 9 665 ( 3 )° ,V =2 82 61( 7)nm3 ,Z =4,R1 =0 0 5 0 8,wR =0 12 17.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氢键 ,将这些宽带连成平行于 ( 0 0 1)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”A new layer-type inclusion complex, (C4H9)(4)N+ [1, 3, 5-C6H3(COOH)(2) (COO-)] . 2H(2)O, has been prepared and characterized by X-ray crystallography. Crystal data: monoclinic, P2(1)/c, a = 1.3621(2) = nm, b = 1.3691(2) nm, c = 1.6094 (2) nm, beta = 109.665 (3)degrees, V = 2.8261 (7) nm(3), Z = 4, R-1 = 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 himesate-water wide chain. Further hydrogen bonds between water dimer and carboxylate C(l) 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.

关 键 词：苯三甲酸 水分子 晶体结构 四丁基铵 氢键包合物 季铵阳离子 合成 主体分子 客体分子 

分 类 号：O76[理学—晶体学]