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Conformational characteristics and configurational properties of synthetic biodegradable polyesters, poly(ethylene succinate) and poly(butylene succinate), have been investigated by NMR experiments and molecular orbital calculations on their model compounds and the rotational isomeric state calculations for the two aliphatic polyesters. The results have been related to their crystal structures and...
Conformational characteristics of poly(lactide)s have been investigated by density functional theory and ab initio molecular orbital (MO) calculations and NMR experiments on model compounds. Characteristic ratios, configurational entropies, and internal energies of poly(L-lactide) and poly(DL-lactide), whose stereosequences were generated by Bernoulli and Markov stochastic processes, were calculated...
Conformational analysis of poly(butylene terephthalate) (PBT) has been carried out by the refined rotational isomeric state scheme combined with ab initio molecular orbital (MO) calculations and NMR experiments on its model compound, tetramethylene glycol dibenzoate (TetMGDB). Two conformers of TetMGDB, showing intramolecular phenyl–phenyl close contacts, yielded so small free energies at the MP2...
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