The Journal of Chemical Physics · 1966 · 145 citations · 37 references
Natural SciencesChemistryPhysicsMolecular PhysicsQuantum ChemistrySpectroscopyMagnetism Of Inorganic CompoundsMolecular Excited StatesMolecular SpectroscopyOptical SpectroscopySpectroscopy Of BiomoleculesUltraviolet-visible SpectroscopyExcited Electronic StatesExcited StatesMagneto-optic SpectroscopyMagneto-optical PropertiesMolecular ChromophoresSpectral Absorption BandsUltraviolet-visible Absorption SpectroscopyUltraviolet-visible Spectroscopy Simulation
Recent MORD data in the region of the visible and near-uv absorption bands of some porphyrins and phthalocyanines are analysed. New computer programs are used to fit general formulas to the experimental data and to extract molecular parameters. Theoretical expressions for the latter are derived, adopting the current interpretation of the observed transitions. The over-all agreement with experiment is good, supporting the assignments. The theory also shows that the magnetic moments of the excited states can be obtained from the data. Values obtained agree with a priori calculations in order of magnitude. Further experimental and theoretical work is suggested.
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Martin Gouterman · Journal of Molecular Spectroscopy · 1961 · 2.2K citations
Formulas and Numerical Tables for Overlap Integrals
Robert S. Mulliken, Carol A. Rieke, D. Orloff et al. · The Journal of Chemical Physics · 1949 · 950 citations
Natural Sciences, Chemistry, Physics +15
Charles Weiss, Hiroshi Kobayashi, Martin Gouterman · Journal of Molecular Spectroscopy · 1965 · 480 citations