Get access

Structural Competition between Halogen Bonds and Lone-Pair⋅⋅⋅π Interactions in Solution



original image

Structural competition between halogen bonds and lone-pair⋅⋅⋅π interactions in solution (see picture) is studied using 13C NMR combined with density functional theory calculations. Among the halogen bonds considered, only the iodine bonds and a few bromine bonds are strong enough to compete successfully with the lone-pair⋅⋅⋅π interactions.