Accession Number : ADA191859

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

Descriptive Note : Final rept. 30 Sep 84-31 Oct 87,

Corporate Author : DAYTON UNIV OH DEPT OF CHEMISTRY

Personal Author(s) : Fratini, Albert V

PDF Url : ADA191859

Report Date : Feb 1988

Pagination or Media Count : 62

Abstract : 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. Keywords: Order polymers, Rigid rod polymers, Ladder polymer, Fiber structure, Polybenzothiazoles, Polybenzoxazoles.

Descriptors :   *AROMATIC COMPOUNDS, *ELECTROOPTICS, *HETEROCYCLIC COMPOUNDS, *ORDER DISORDER TRANSFORMATIONS, *POLYMERS, CELL STRUCTURE, CELLS, CRYSTALS, DETERMINATION, DIFFRACTION, FIBERS, MODELS, MOLECULAR STRUCTURE, REFINING, RIGIDITY, RODS, STRUCTURAL PROPERTIES, X RAYS

Subject Categories : Polymer Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE