Oxa-bicyclocalixarenes: a new cage for anions via C-H...anion hydrogen bonds and anion...pi interactions.

Research paper by Chun-Shan CS Zuo, Jun-Min JM Quan, Yun-Dong YD Wu

Indexed on: 15 Sep '07Published on: 15 Sep '07Published in: Organic Letters


Density functional theory calculations indicate that the cage molecule 4 can trap F- in the gas phase (-80.5 kcal/mol) as well as in CH2Cl2 (-14.7 kcal/mol) via strong C-H...F- hydrogen bonds and pi...F- interaction.