A thermal reaction using a series of [14]tribenzotriphyrins(2.1.1) (TriPs,1a–d) with Rh2(C8H12)Cl2provides RhIII–TriP complexes (2a–d) in 40−52% yields.
1,4-Naphthoquinone 1-oxime methyl ethers carrying an ester-substituted aryl pendant at 2-position were concisely prepared as seed compounds with structural flexibility for structure-activity relationship studies on antitumor activity. The key synthetic intermediate was a phthalide-tetralone spiro compound, which was provided by palladium-coupling reaction between 2-bromobenzoate and 1-tetralone followed by OsO 4 -NMO oxidation.
An analysis of the MCD spectroscopy and TD-DFT calculations of magnesium tetra-(15-crown-5-oxanthreno)-phthalocyanine is reported. This study provides a reassessment of an earlier study on the nature of the bands in UV-visible absorption spectra of magnesium and zinc tetra-(15-crown-5-oxanthreno)-phthalocyanine that was based on an analysis of TD-DFT calculations for a series of model complexes with the B3LYP functional. A detailed analysis of MCD spectral data and TD-DFT calculations with the CAM-B3LYP functional for the complete Mg(II) complex provides an additional insight into the optical properties and electronic structures of tetra-(15-crown-5-oxanthreno)-phthalocyanines. Thus, the bands in the Q-band region are reassigned as being due exclusively to the Q transition of Gouterman’s 4-orbital model, since intense pseudo-[Formula: see text] terms are observed in the MCD spectrum in a spectral region that had previously been assigned as charge transfer bands.
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