L. Hamon et al., THEORETICAL-STUDY ON THE PYROLYSIS OF EST ERS .2. INFLUENCE OF SUBSTITUENTS ON ELIMINATION AND INTERNAL RETURN, Tetrahedron, 50(1), 1994, pp. 161-170
The influence of substituents on the features of two mechanisms (elimi
nation an internal return) in esters pyrolysis has been calculated by
AM1 ; transition states are described through indices of broken and fo
rmed bonds. Eliminations show a wide spectra of transition states, whi
le the internal return is more polar.