The Coordination Chemistry of the CF Group of Fluorocarbons: Thermodynamic Data and Ab Initio Calculations on CF-Metal Ion Interactions

The fluorine atom of fluorobenzene acts as a normal donor towards hard metal cations (see diagram). This conclusion was drawn on the basis of potentiometric and calorimetric data and X-ray crystal structure determinations. DFT calculations confirm this and predict the Li+–F (fluorobenzene) interaction to be roughly two-thirds as strong as that of Li+ with the oxygen atom of dimethyl ether.