Abstract
The first MCD spectral data for an open shell first row transition metal complex of tetraphenyltetraacenaphthoporphyrin (TPTANP) are reported. The B (or Soret) band of cobalt tetraphenyltetraacenaphthoporphyrin (CoIITPTANP(-2)) exhibits an anomalous negative Faraday A1 term as was reported previously in the case of ZnTPTANP, while a positive A1 term is observed for the Q band. INDO/1 geometry optimizations predict that the TPTANP ligand is saddled due to steric hindrance at the ligand periphery to a slightly lesser extent than is the case with ZnTPTANP. The Q and B bands of CoTPTANP arising from the π-system are blue shifted relative to those of ZnTPTANP, based on the "hypso" effect reported previously for planar porphyrin complexes of d6-9 transition metals.
Original language | English |
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Pages (from-to) | 472-479 |
Number of pages | 8 |
Journal | Journal of Inorganic Biochemistry |
Volume | 102 |
Issue number | 3 |
DOIs | |
Publication status | Published - 2008 Mar |
Keywords
- Co(II)
- DFT calculations
- Magnetic circular dichroism spectroscopy
- Non-planar porphyrin
- Red-shifted Q band
ASJC Scopus subject areas
- Biochemistry
- Inorganic Chemistry