Structure-Property Relationships of Poly(ethylene carbonate) and Poly(propylene carbonate).

ABSTRACT: Conformational characteristics of poly(ethylene carbonate) (PEC) and poly(propylene carbonate) (PPC) have been revealed via molecular orbital (MO) calculations and nuclear magnetic resonance (NMR) experiments on model compounds with the same bond sequences as those of the polycarbonates. Bond conformations derived from the MO calculations on the models were in exact agreement with those from the NMR experiments. Both PEC and PPC were indicated to adopt distorted conformations including a number of gauche bonds and cover themselves with negative charges, thus failing to form a regular packing and remaining amorphous. The MO data were applied to the refined rotational isomeric state (RIS) calculations to yield configurational properties such as the characteristic ratio, its temperature coeff

SUBMITTER: Sasanuma Y 

PROVIDER: S-EPMC6641952 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature