The Electronic Spectra of Phthalocyanine Radical Anions and Cations.

Abstract

The oxidation and reduction of metal phthalocyanines give rise to at least six oxidation states whose electronic spectra are rationalized in some depth in terms of SCF energies, Coulomb and exchange integrals. It is shown that a single set of parameters can reproduce the Q band energies moderately well. Further this same set of energies can reproduce differences in electrochemical potentials observed within this redox set. The pattern of variation in the Q band energies (and in their number) now provides a means for identifying whether it is the metal or the phthalocyanine ligand which is reduced upon addition of an electron to the system.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Mar 01, 1985
Accession Number
ADA152328

Entities

People

  • Alfred Beverley Philip Lever
  • M. Gouterman
  • P. C. Minor

Organizations

  • University of York

Tags

Communities of Interest

  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Abstracts
  • California
  • Chemical Engineering
  • Chemistry
  • Engineering
  • Illinois
  • Jet Propulsion
  • Maryland
  • Massachusetts
  • Materials Science
  • Military Research
  • New Jersey
  • New York
  • North Carolina
  • Rhode Island
  • Transition Metals
  • United States

Readers

  • Computational Modeling and Simulation
  • Organic Chemistry
  • Quantum Chemistry

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene