The electronic structure of metallated phthalocyanine-NO2 adducts

Roger Rousseau, A. Ozarowski, R. Aroca, L. de A. Soares II, M. Trsic

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

The electronic structure of the adduct formed by a metal complex of cobalt, nickel and copper phthalocyanine (MPc) and NO2 has been studied using molecular orbital methods and EPR spectroscopy. It is shown that the NO2 molecule interacts with Pc complexes through the metal atom and the most favourable structure involves MNO2 or MONO coordination with a charge transfer to the NO2. EPR experiments were carried out using Co, Ni and Cu tetra-tert-butyl Pc complexes (MPct). The signal of Co and Cu complexes became EPR silent after the reaction of the NO2.

Original languageEnglish
Pages (from-to)287-297
Number of pages11
JournalJournal of Molecular Structure
Volume317
Issue number3
DOIs
Publication statusPublished - Feb 10 1994

Fingerprint

Coordination Complexes
adducts
Electronic structure
Paramagnetic resonance
electronic structure
Nickel
metals
Spectrum Analysis
molecular orbitals
cobalt
charge transfer
nickel
Molecular orbitals
Metal complexes
Cobalt
copper
Charge transfer
Metals
Spectroscopy
spectroscopy

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

The electronic structure of metallated phthalocyanine-NO2 adducts. / Rousseau, Roger; Ozarowski, A.; Aroca, R.; de A. Soares II, L.; Trsic, M.

In: Journal of Molecular Structure, Vol. 317, No. 3, 10.02.1994, p. 287-297.

Research output: Contribution to journalArticle

Rousseau, Roger ; Ozarowski, A. ; Aroca, R. ; de A. Soares II, L. ; Trsic, M. / The electronic structure of metallated phthalocyanine-NO2 adducts. In: Journal of Molecular Structure. 1994 ; Vol. 317, No. 3. pp. 287-297.
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