Magnetic circular dichroism and theoretical studies of the excited states of magnesium phthalocyanine negative ions
- 1 January 1971
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 21 (3) , 417-437
- https://doi.org/10.1080/00268977100101601
Abstract
In this work, the magnetic circular dichroism spectra and the absorption spectra of the first four negative ions of magnesium phthalocyanine are reported and discussed. Calculations of the π-LCAO-SCF-CI type are compared in two different approximations. The first approximation assumes that SCF orbitals generated from the neutral molecule are sufficient to describe the ions and is shown to be inaccurate. The second approximation includes the extra electrons in the SCF calculation, and the results, together with the magnetic circular dichroism spectra, are used to assign the mono- and tetranegative ion spectra and to assign tentatively the trinegative ion spectra. The magnetic circular dichroism measurements are apparently the first to be made on radicals and radical ions.Keywords
This publication has 5 references indexed in Scilit:
- Magneto-Optical Rotatory Dispersion of Porphyrins and PhthalocyaninesThe Journal of Chemical Physics, 1966
- Ground-state energies of mono-, di-, tri- and tetranegative ions of porphins and their metal complexesTheoretical Chemistry Accounts, 1966
- Spectra of porphyrinsJournal of Molecular Spectroscopy, 1965
- 878. The negative ions of some porphin and phthalocyanine derivatives, and their electronic spectraJournal of the Chemical Society, 1964
- The Electronic Spectra of Aromatic Molecules IV: Excited States of Odd Alternant Hydrocarbon Radicals and IonsProceedings of the Physical Society. Section A, 1955