Molecular-orbital calculations have been carried out for monomeric, dimeric and trimeric oligomers of poly(methyl methacrylate). The minimum-energy geometry was achieved in all cases, and the geometrical and electronic parameters obtained were compared with experimental data. A ttt9 + conformation along the main-chain skeletal sequence was found.
Посилання на статтю:
Model compounds of poly(methyl methacrylate): conformational analysis / M. A. Mora and M. F. Rubio-Arroyo // Polymer. – 1994. – Vol 35. – P. 1078-1083.