NMR spectroscopic and theoretical evidence for the helical structure of the liquid crystal polymer obtained by polycondensation reaction between 3,3-bis(chloromethyl)-oxetane and bisphenol A

A secondary structure of the polymer resulting from the polycondensation of 3,3-bis(chloromethyl)-oxetane and bisphenol A has been structurally charac terized using the complementary techniques of H-1 two-dimensional NMR spect roscopy and molecular modeling approach. The three-dimensional structure of this polymer was found to adopt helix folding. In this work, the theoretic al strategy-based conformational analysis using molecular mechanics is show n to be an efficient way of multiconformer searching in the case of high po lymers where the number of rotatable bonds is high. (C) 2001 Elsevier Scien ce B.V. All rights reserved.