Evidence for a Bulky Unit of a Pillar[5]arene Flipping in the Solid State  

作　　者：Mingguang Pan Min Xue 

机构地区：[1]Department of Chemistry,Zhejiang University,Hangzhou,Zhejiang 310027,China

出　　处：《Chinese Journal of Chemistry》2014年第5期391-395,共5页中国化学（英文版）

基　　金：This work was supported by the National Natural Science Foundation of China(No.21202145);the China Postdoctoral Science Foundation(No.2013M541767).

摘　　要：It is well known that pillar[5]arenes have two most stable conformations(pS and pR)in their crystal structures.Because of the intramolecular H-bonding interactions,substituents,temperature,solvent and so on,the rotational behaviors of the phenolic units on pillararenes are also common.This paper showed some other kinds of conforma-tions in the functionalized pillar[5]arenes and gave evidence for a bulky unit(1,4-methoxycarbonylmethoxybenzene unit)flipping in the solid state.The presence of hydrogen bonding facilitated the intermolecular self-assembly in terms of energy-minimized packing in the crystals.Thus,the main driving force for the flipping of this bulky unit might be both the intramolecular hydrogen bonding between the phenolic units on pillararenes and quadrupolar hy-drogen bonding between the host and water.This paper helps us to have a better understanding on the conforma-tions of pillar[5]arenes.

关 键 词：pillararenes CONFORMATION hydrogen bonding HYDROQUINONE 1 4-methoxycarbonylmethoxybenzene 

分 类 号：G63[文化科学—教育学]