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- W2809322992 abstract "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." @default.
- W2809322992 created "2018-06-29" @default.
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- W2809322992 date "2018-08-16" @default.
- W2809322992 modified "2023-09-27" @default.
- W2809322992 title "An Insight into Adaptive Deformation of Rigid Cucurbit[6]uril Host in Symmetric [2]Pseudorotaxanes" @default.
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- W2809322992 doi "https://doi.org/10.1002/ejoc.201800964" @default.
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