Rotational Isomeric State Model for the Polycarbonate of 2,2' - Bis (4-Hydroxphenyl) Propane

摘要

Recently, the conformations of fragments of the polycarbonate of 2,2'-bis(4-hydroxyphenyl)propane (hereafter abbreviated PC) have been the subject of several detailed studies in which quantum chemical and molecular mechanics methods haven't been used. The rotational isomeric state (RIS) model for this chain molecule has not been revised accordingly, and Williams and Flory's RIS scheme is usually used unchanged. It seems appropriate and timely to incorporate the newer structural and conformational data into a revised RIS model. Based mainly on the data provided by Bicerano and Clark and Perez and Scaringe we formulate the following RIS model; all torsion angles are zero in the planar ('zig zag') conformation.