Structure and Refinement of Ordered Aromatic Heterocyclic Polymers by Diffraction Methods: Application of Results to Electro-Optic Phenomena

摘要

The polymer structure determination and refinement of flexible coil poly-2,5-benzoxazole (ABPBO) and poly-2,6-benzothiazole (ABPBT) were performed. Refinement of the unit cell structure of poly(p-phenylene benzobisthiazole) (PBO) and poly(p-phenylene benzobisthiazole) (PBT) in a nonprimitive monoclinic unit cell was carried out in a similar fashion. Initial structural models were derived from x-ray studies of model compounds. Experimental structure factors were incorporated into the Linked-Atom Least-Squares (LALS) refinement method. The Structure of the benzimidazo-isoquinoline ladder polymer (BBL) was also investigated. BBL shows potential as an organic conducting polymer. The feasibility of BBL and similar systems to act as conducting polymers requires accurate molecular structure and crystallographic data for an understanding of the mechanical, optical and electro-optic properties.