Mk. Awad, EFFECT OF ALKYL SUBSTITUENTS ON THE THERMAL-DEGRADATION OF POLY(ALKYLMETHACRYLATE) - A MOLECULAR-ORBITAL STUDY USING THE ASED-MO METHOD, Polymer degradation and stability, 49(3), 1995, pp. 339-346
The effect of alkyl substituents on the stability and degradation prod
ucts of alkyl methacrylate polymers has been explained in terms of ASE
D-MO theory. The calculations explained that the formation of methyl,
ethyl, n-propyl, and n-butyl methacrylate monomers as the principal pr
oducts during the thermal degradation of their polymers is due to thei
r high stabilities, which probably correspond to the high energy separ
ation between HOMO-LUMO levels. However, the t-butyl methacrylate mono
mer shows the smallest energy separation, which increases its tendency
towards the ester decomposition mechanism during the thermal degradat
ion of poly(t-butyl methacrylate).