Is polarization important in cation-pi interactions?

Title	Is polarization important in cation-pi interactions?
Publication Type	Journal Article
Year of Publication	1998
Authors	Cubero, E, Luque FJ, Orozco M
Journal	Proceedings of the National Academy of Sciences of the United States of America
Volume	95
Issue	11
Pagination	5976 - 5980
Date Published	1998/05/26/
Abstract	The importance of cation->aromatic polarization effects on cation-pi interactions has been explored. Theoretical calculations demonstrate that polarization is a large contribution to cation-aromatic interactions, and particularly to cation-pi interactions. For a series of compounds with a similar aromatic core, polarization is constant and makes small influence in the relative cation-binding energies. However, when the aromatic core changes polarization contributions might be very different. We found that the generalized molecular interaction potential with polarization is a very fast and powerful tool for the prediction of cation binding of aromatic compounds.

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