主体分子D．D与茴香醛包结物的超分子异构现象  

Supramoleeular isomerism of inclusion crystalline formed by D.D with p-anisaldehyde

作　　者：郭文生[1] 胡志泉[1] 王忠华[1] 郭放[1] 

机构地区：[1]辽宁大学化学学院,辽宁沈阳110036

出　　处：《渤海大学学报（自然科学版）》2007年第4期289-296,共8页Journal of Bohai University:Natural Science Edition

基　　金：国家自然科学基金项目(No:20372031).

摘　　要：1,1,6,6-四苯基-2,4-己二炔-1,6-二醇(D.D)与茴香醛在不同的结晶条件下形成主客体分子物质的量比分别为2:1和1:2的包结物晶体。x-射线单晶衍射测试结果表明,在2:1(h/g)包结物晶体中,D.D通过形成闭合氢键网,构筑了1(?) zigzag主体分子框架超结构,形成的隧道框架对茴香醛具有识别作用;在1:2(h/g)包(?)物晶体中,主体分子采取0维框架超结构,按2_1次螺旋轴呈zigzag形状排列,茴香醛分子与主体分子通过OH…O强氢键作用进入主体分子构筑的隧道。它们互为超分子异构体。产生异构体的原因是,在前者包结物晶体中,主体分子采取邻位交叉式构象,而在后者的包结(?)晶体中,主体分子采取对位交叉式构象,因此,它们又是超分子构象异构体。Inclusion crystals with molar ratio （host/guest） of 2 ： 1 and 1：2 are formed by 1,1,6,6 -tet- raphenylhexa -2,4 -diyne - 1,6 -diol（ D. D） with p -anisaldehyde in different crystal conditions respectively. The results of x - ray single crystal diffraction show that 1 D zigzag ribbon host framework is constructed by D. D molecules through closed H - bonds network formed themselves in inclusion crystal with molar ratio of 2 ：1 （host/guest）, and p -anisaldehyde molecules are packed into tunnel enelosodby 1 D zigzag ribbon, while in inclusion crystal with molar ratio of I ：2 （host/guest）, the framework of D. D. molecules is 0 D. structure, and arrayed in zigzag shape according to 21 screw ro/ation axis, and through molecular interaction of OH 0 = C strong H - bonds, p - anisaldehyde molecules are packed into tunnel enelosod by D.D. molecules. They are supramoleeular isomers to each other. In the former inclusion crystal, D. D. molecule adopted gauche con- formation, while in the latter inclusion crystal, D.D. molecule adopted antiperiplanar conformation, and these are the cause of supramoleeular isomers formed. Therefore, they are regarded as supramoleeular conformation isomers.

关 键 词：超分子构象异构体 包结化合物 1  1  6  6-四苯基-2 4-己二炔-1  6-二醇 茴香醛 

分 类 号：O641.3[理学—物理化学]