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

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.

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Document Details

Document Type
Technical Report
Publication Date
Feb 01, 1988
Accession Number
ADA191859

Entities

People

  • Albert V. Fratini

Organizations

  • University of Dayton

Tags

Communities of Interest

  • Air Platforms
  • C4I

DTIC Thesaurus Topics

  • 2-Ring Heterocyclic Compounds
  • Abstracts
  • Chemical Synthesis
  • Chemistry
  • Crystal Structure
  • Crystals
  • Fibers
  • Materials
  • Materials Laboratories
  • Organic Chemistry
  • Plastic Explosives
  • Rigid Rod Polymers
  • Rod Polymers
  • Tensile Properties
  • Three Dimensional
  • X Rays
  • X-Ray Diffraction

Fields of Study

  • Chemistry
  • Materials science

Readers

  • Computational Modeling and Simulation
  • Polymer Science and Technology