Theoretical Investigations and Attempted Synthesis of Organic Magnetic Polymers and Oligomers

Abstract

This project was aimed at designing magnetic properties in new materials, particularly organic polyradicals. We desired to use semiempirical molecular orbital plus configuration interaction computational methods to predict what types of structural features are most important in maximizing desirable ferromagnetic exchange interactions within organic systems (intramolecular exchange). Once appropriate structural models were delineated by theory, we also aimed to develop a solid-state photochemical method to generate phenoxyl radical sites in a polymeric material. Use of a solid-state polyradical synthesis method would allow masking techniques for production of magnetic sites on a surface, and would minimize the kinds of radical quenching reactions that tend to reduce stability of radicals under free diffusion (solution) conditions.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1991
Accession Number
ADA273507

Entities

People

  • Paul M Lahti

Organizations

  • University of Massachusetts Amherst

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Compounds
  • Chemistry
  • Computational Modeling
  • Computational Science
  • Energy Gaps
  • Ground State
  • Magnetic Materials
  • Magnetic Properties
  • Materials
  • Molecular Orbital Theory
  • Molecules
  • Oligomers
  • Quantum Chemistry
  • Quantum Properties
  • Quantum Yields
  • Small Molecules
  • Students

Readers

  • Quantum Chemistry
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.
  • Theoretical Analysis.

Technology Areas

  • Space