两种部分甲基取代瓜环配合物的晶体结构(英文)  

Crystal Structures of Two Partially Methyl-Substituted Cucurbit[n]urils

作　　者：陈文建[1] 曾金萍[1] 张云黔[1] 祝黔江[1] 薛赛凤[1] 陶朱[1] 卫钢 

机构地区：[1]贵州省大环化学及超分子化学重点实验室,贵阳550025 [2]CSIRO Materials Science and Engineering,P.O.Box218,Lindfield,NSW2070,Australia

出　　处：《无机化学学报》2010年第11期2018-2024,共7页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金项目(No.20662003,20961002);教育部春晖计划项目;贵州省国际科技合作重点项目计划资助

摘　　要：本文报道了2种新的部分甲基取代瓜环配合物的晶体结构,利用X-射线单晶衍射技术表征了2种配合物的结构,在CdCl2溶液中,1,2,4,5-八甲基六元瓜环选择性的包结客体分子1,2-(2,2′-bisbenzimidazolyl)ethanedichloride,形成2∶1的哑铃型主客体包结配合物;而1,2,4-六甲基五元瓜环(HMeQ[5])与钠离子配位形成包结一个水分子的"分子胶囊","分子胶囊"之间通过氢键自组装形成一维的超分子长链。Two partial methyl-substituted cucurbit[n]urils were characterized by single-crystal X-ray diffractions. A new methyl-substituted cucurbituril, 1,2,4,5-octamethylcucurbit[6]uril （OMeQ[6]） was separated by the formation of the inclusion complexes of OMeQ[6] with 1,2-（2,2′-bisbenzimidazolyl）ethane dichloride （SBE） in the presence of CdCl2, and a 1,2,4-hexamethylcucurbit[5]uril （HMeQ[5]） coordination to sodium ion was also obtained. In the crystal structure of compound {（SBE@2OMeQ[6]）^2＋[Cd2（ μ-Cl）2（Cl2）2（H2O）2]^2-} （1）, the OMeQ[6] host selectively included the benzimidazolyl moiety of the guest SBE through the hydrophobic cavity interaction and the ion- dipole interaction of the cation N＋ with the carbonyl oxygens of the host, and formed a dumbbell shape host-guest inclusion complex with a ratio of 2∶1. In the crystal structure of the complex {[Na（H2O）HMeQ[5]]^＋（NO3）^-5H2O} （2）, a molecular capsule included one water molecule was formed, and the capsules assembled one-dimensional supramolecular chain through the hydrogen bonding.

关 键 词：部分甲基取代瓜环 1 2 4 5-八甲基取代六元瓜环 1 2 4-六甲基取代五元瓜环 晶体结构 

分 类 号：O614.242[理学—无机化学] O614.112[理学—化学]