Hydrogen-Bond Controlled π-Dimerization in Viologen-Appended Calixarenes: Revealing a Subtle Balance of Weak Interactions

Org Lett. 2015 Aug 21;17(16):4058-61. doi: 10.1021/acs.orglett.5b01982. Epub 2015 Aug 13.

Abstract

The intramolecular π-dimerization between two 4,4'-bipyridinium cation radicals directly connected to the wide rim of a calixarene is described. The ability of a phenol-containing calixarene to dimerize in its two-electron-reduced state depends on a subtle balance of weak interactions associated with hydrogen bond formation on the lower rim and orbital overlap between π-radicals on the upper rim.