Summary
Non-covalent interactions are analyzed for complex formation in aqueous solution with cyclophanes bearing no positive or negative charges in the cavity, and with cyclodextrins. Geometric fitting as well as substrate solubility is found in several cases to be of lesser significance. The use of the solvent dependence of association for the quantification of hydrophobic binding contributions is exemplified. Coulomb attractions in a large number of systems obey a general correlation with the number of ion-ion interactions, furnishing ≈1.3 kcal/mol per salt bridge. Geometric variations of charge locations in host and guest molecules show the expected binding differences. Special van der Waals effects between ammonium ions and aromatic moieties contribute significantly to binding, as demonstrated by comparison to saturated substrates.
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References
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© 1990 Plenum Press, New York
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Schneider, HJ., Blatter, T., Kramer, R., Kumar, S., Schneider, U., Theis, I. (1990). Host-Guest Binding Mechanisms: Experimental Approaches [1]. In: Atwood, J.L. (eds) Inclusion Phenomena and Molecular Recognition. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-0603-0_7
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DOI: https://doi.org/10.1007/978-1-4613-0603-0_7
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