Quantum Mechanistic Studies of the Oxidation of Ethylene by Rhenium Oxo Complexes

Figure 1

(a) Gibbs free-energy profile diagram for the reaction between ReO₃F and ethylene at the B3LYP/LACVP level of theory. (b) Optimized transition states involved in the reaction between ReO₃F and ethylene at the B3LYP/LACVP level of theory.

(a)

(b)