In silico Design of Supramolecules from Their Precursors: Odd–Even Effects in Cage-Forming Reactions

[Image: see text] We synthesize a series of imine cage molecules where increasing the chain length of the alkanediamine precursor results in an odd–even alternation between [2 + 3] and [4 + 6] cage macrocycles. A computational procedure is developed to predict the thermodynamically preferred product...

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Detalles Bibliográficos
Autores principales: Jelfs, Kim E., Eden, Edward G. B., Culshaw, Jamie L., Shakespeare, Stephen, Pyzer-Knapp, Edward O., Thompson, Hugh P. G., Bacsa, John, Day, Graeme M., Adams, Dave J., Cooper, Andrew I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2013
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3697021/
https://www.ncbi.nlm.nih.gov/pubmed/23745577
http://dx.doi.org/10.1021/ja404253j

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