Substitution effect and effect of axle’s flexibility at (pseudo-)rotaxanes

This study investigates the effect of substitution with different functional groups and of molecular flexibility by changing within the axle from a single C–C bond to a double C=C bond. Therefore, we present static quantum chemical calculations at the dispersion-corrected density functional level (D...

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Bibliographic Details
Main Authors: Malberg, Friedrich, Brandenburg, Jan Gerit, Reckien, Werner, Hollóczki, Oldamur, Grimme, Stefan, Kirchner, Barbara
Format: Artigo
Language:Inglês
Published: Beilstein Institute 2014
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Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4077404/
https://ncbi.nlm.nih.gov/pubmed/24991282
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.10.131
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