螯形二羟基主体分子的包结性能与其结构关系的研究  

Study on Relationship between Inclusion Capability and Structure of Cheliform Di-hydroxyls Host

作　　者：郭文生[1] 朱峰[2] 郭放[1] 臧树良[1] 刘祁涛[1] 

机构地区：[1]辽宁大学化学科学与工程学院,沈阳110036 [2]中山大学化学系,广州510275

出　　处：《化学学报》2002年第3期398-403,共6页Acta Chimica Sinica

基　　金：国家自然科学基金 (No .6 97780 2 2 );辽宁省自然科学基金 (No .9810 30 10 01)资助项目

摘　　要：报道了螯形主体分子 ,反式 9,10 二 1′ 萘基 9,10 菲二醇 (1) ,能与多种含氮有机化合物 ,诸如喹啉、异喹啉、哌啶、二环己胺等形成包结化合物 ;而反式 9,10 二苄基 9,10 菲二醇 (2 )则不具有包结性能 .还报道了这些包结化合物的IR ,粉末XRD的表征 ,用1HNMR谱测定了它们的分子摩尔比 ,分别为 (1) /喹啉 (1∶2 ) ,(1) /异喹啉 (1∶2 ) ,(1) /哌啶 (1∶2 )和 (1) /二环己胺 (1∶2 ) .用单晶X射线衍射法测定了 (1)与二环己胺包结物以及 (2 )的结构 ,结果表明前者属正交晶系 ,空间群为Pnca(标准型Pbca) ,晶胞参数 :a =1.6 714(3)nm ,b =1.6 875 (3)nm ,c =1.72 2 4(3)nm ,V =4.85 8nm3 ,Z =8,形成了隧道型配位笼状包合物 .后者属三斜晶系 ,空间群为P1- ,晶胞参数 :a =0 .80 5 8(2 )nm ,b =0 .9715(2 )nm ,c=1.44 37(3)nm ,α=10 9.5 9(3)° ,β =95 .96 (3)° ,γ =96 .0 3(2 )° ,V =1.0 471nm3 ,Z =2 .还比较了 (1)和 (2 )的结构差异 ,分析了 (1)的结构和包结性能的关系 .It is reported, that host molecules with chela shape, trans-9,10-di(1'-naphthyl)-phenanthrene-9, 10-diol (1), can form the inclusion compounds with various small molecules containing nitrogen atoms, such as quinoline, isoquinoline, piperidine and dicyclohexylamine, while another compound, trans-9, 10-di-benzyl-phenanthrene-9, 10-diol (2) does not exhibit inclusion capability. These inclusion compounds have heen confirmed by means of IR and powder XRD and their host-guest molar ratios have been determited by H-1 NMR to be 1: 2 [(1)/quinoline], 1:2 [(1)/isoquinoline], 1:2[(1)/piperidine] and 1:2[(1)/dicyclohexylamine] respectively. The structures of the inclusion compound of host molecule (1) with dicyclo-hexylamine and compound (2) are determined by single crystal X-ray diffraction. It is shown that the crystal of the inclusion compound of (1) with channel type coordinatoclathrate belongs to orthorhombic crystal system with space group Pnca (standard type Pbca), a = 1.6714(3) run, b = 1.6875(3) nm, c = 1.7224 (3) nm, V = 4.858 nm(3), Z = 8, while that of the compound of (2) belongs to triclinic crystal system with space group P (1) over bar, a = 0.8058 (2) nm, b = 0.9715 (2) nm, c = 1.4437(3) nm, alpha = 109.59(3)degrees, beta = 95.96(3)degrees, gamma = 96.03(2)degrees, V = 1.0471 nm(3), Z = 2. By comparing structural differences of (1) and (2), the relationship between structure and inclusion ability of host molecule (1) is discussed.

关 键 词：螯形 二羟基 主体分子 包结性能 结构 超分子 包结化合物 反式-9 10-二-1′-萘基-9 10-菲二醇 

分 类 号：O641[理学—物理化学]