【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”式夹层结构的包合物更多还原

【Abstract】 A new layer type inclusion complex, (C 4H 9) 4N +[1,3,5 C 6H 3(COOH) 2(COO -)]·2H 2O, 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, β =109 665 (3)°, 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 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.更多还原