Quantum-chemical treatment of the mechanism of urethane formation by the extended Hückel method

1. Potential curves for model reactions of urethane formation have been calculated by the extended Huckel method. It has been shown that stable intermediate complexes are formed between the reactants in the course of these reactions. 2. The structure of this complex is close to that of urethane itself. Complexing weakens the N=C bond more than the C=O bond.