The mutual influence of non-covalent interactions in pi-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine

Chem Commun (Camb). 2010 Aug 28;46(32):5894-6. doi: 10.1039/c0cc01083a. Epub 2010 Jul 9.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anions / chemistry*
  • Calixarenes / chemistry*
  • Electrons*
  • Hydrogen Bonding
  • Molecular Conformation
  • Triazines / chemistry*

Substances

  • Anions
  • Triazines
  • tetraoxacalix(2)arene(2)triazine
  • Calixarenes