An accurate rationalization of the interplay between H-bonding and both anion-pi and lone-pair-pi interactions present in specific host-guest complexes, has been performed by using first principle computations. Results show that their combination leads to a cooperativity effect.
Alberto, M., Mazzone, G., Russo, N., Sicilia, E. (2010). The mutual influence of non-covalent interactions in π-electron deficient cavities: The case of anion recognition by tetraoxacalix[2]arene[2] triazine. CHEMICAL COMMUNICATIONS, 46(32), 5894-5896 [10.1039/c0cc01083a].
The mutual influence of non-covalent interactions in π-electron deficient cavities: The case of anion recognition by tetraoxacalix[2]arene[2] triazine
Alberto M. E.;
2010
Abstract
An accurate rationalization of the interplay between H-bonding and both anion-pi and lone-pair-pi interactions present in specific host-guest complexes, has been performed by using first principle computations. Results show that their combination leads to a cooperativity effect.
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