Electronic and Redox Properties of Stacked-Ring Silicon Phthalocyanines from Molecular Orbital Theory.

Abstract

It is shown that the multi-peaked cyclic voltammograms for silicon phthalocyanine monomer-oligomer sets may be predicted from initial state molecular orbital energy levels if field shifts are used to allow for the charges of the anions and cations. The theory should have broad application for the understanding of the redox properties of other cofacial macrocyclic ring systems and the conductivity of doped cofacial polymers. The molecular orbital energy levels also produce the features of the optical and photoemission spectra of silicon phthalocyanine monomer-oligomer sets in the HOMO-LUMO energy regions, showing the importance of direct pi overlap.

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Document Details

Document Type
Technical Report
Publication Date
Oct 19, 1984
Accession Number
ADA147161

Entities

People

  • A. B. Anderson
  • M. E. Keney
  • T. L. Gordon

Organizations

  • Case Western Reserve University

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Compounds
  • Chemistry
  • Electrons
  • Energy Levels
  • Engineering
  • Ionization
  • Ionization Potentials
  • Materials
  • Materials Engineering
  • Materials Science
  • Military Research
  • Molecular Orbital Theory
  • Molecules
  • New York
  • Photoelectric Emission
  • Spectra
  • United States

Readers

  • Materials Science and Engineering.
  • Quantum Chemistry

Technology Areas

  • Microelectronics
  • Space