The mutual influence of non-covalent interactions in pi-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine.
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
Marta E
ME
Dipartimento di Chimica, Università della Calabria, 87036 Arcavacata di Rende (CS), Italy.
Mazzone
Gloria
G
Russo
Nino
N
Sicilia
Emilia
E
D000838:Anions / Q000737:chemistry*; D047250:Calixarenes / Q000737:chemistry*; D004583:Electrons; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D014227:Triazines / Q000737:chemistry*
D000838:Anions; D014227:Triazines; C532848:tetraoxacalix(2)arene(2)triazine; D047250:Calixarenes