An Insight into Adaptive Deformation of Rigid Cucurbit[6]uril Host in Symmetric [2]Pseudorotaxanes

doi:10.1002/ejoc.201800964

	An Insight into Adaptive Deformation of Rigid Cucurbit[6]uril Host in Symmetric [2]Pseudorotaxanes
	Hu KQ(胡孔球); Ge YC(葛云晨); Chai ZF(柴之芳); Shi WQ(石伟群); Li, FZ; Mei, L; Wu, QY; Tian, Y; Hu, KQ; Ge, YC
刊名	EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
	2018
期号	32 页码:4426-4430
关键词	Supramolecular chemistry Adaptive response [2]Pseudorotaxanes Cucurbit[6]uril Deformation Host-guest systems
ISSN号	1434-193X
DOI	10.1002/ejoc.201800964
文献子类	Article
英文摘要	We here report for the first time on the guest-dependent structural deformation of a symmetrical rigid cucurbit[6]uril (CB[6]) host in symmetrically well-defined supramolecular entities, that is, [2]pseudorotaxanes of different sizes, which is proved by NMR, infrared (IR) and Raman spectroscopies, and single-crystal analysis, to be an adaptive response of the macrocyclic host to bipyridinium guests with varying axles. Detailed analyses by quantum-mechanical (QM) calculations on this adaptive supramolecular systems provide an insight into the intrinsic nature of underlying host-guest interactions for adaptive response of CB[6] host, which reveal that the deformation for [2]pseudorotaxane with a shorter pentamethylene (C5) axle is largely attributed to the strong orbital interactions between CB[6] and guests, while those for [2]pseudorotaxane longer axles are mainly dispersion interactions.
电子版国际标准刊号	1099-0690
WOS关键词	ASSEMBLED COORDINATION CAGES ; TRANSITION-STATE METHOD ; NUCLEIC-ACID APTAMERS ; TOLL-LIKE RECEPTORS ; MOLECULAR RECOGNITION ; IMMUNE-RESPONSES ; CUCURBITURIL ; COMPLEXES ; CHEMISTRY ; AMPLIFICATION
WOS研究方向	Chemistry
语种	英语
WOS记录号	WOS:000443228900008
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/286269]
专题	高能物理研究所_多学科研究中心中国科学院高能物理研究所_中国散裂中子源
通讯作者	Shi WQ(石伟群)
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Hu KQ,Ge YC,Chai ZF,et al. An Insight into Adaptive Deformation of Rigid Cucurbit[6]uril Host in Symmetric [2]Pseudorotaxanes[J]. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY,2018(32):4426-4430.
APA	胡孔球.,葛云晨.,柴之芳.,石伟群.,Li, FZ.,...&李飞泽.(2018).An Insight into Adaptive Deformation of Rigid Cucurbit[6]uril Host in Symmetric [2]Pseudorotaxanes.EUROPEAN JOURNAL OF ORGANIC CHEMISTRY(32),4426-4430.
MLA	胡孔球,et al."An Insight into Adaptive Deformation of Rigid Cucurbit[6]uril Host in Symmetric [2]Pseudorotaxanes".EUROPEAN JOURNAL OF ORGANIC CHEMISTRY .32(2018):4426-4430.