Abstract
meso-Tetra(3,4,5-trimethoxy)phenyl-porphyrin and -tetrabenzoporphyrin and their phosphorus complexes were synthesized and their electronic absorption and magnetic circular dichroism (MCD) spectra discussed based on TD-DFT molecular orbital (MO) calculations. Nucleus-independent chemical shift (NICS) and anisotropy of the induced current density (ACID) calculations were also carried out for metal-free (and phosphorus) tetrabenzoporphyrins in order to discuss the aromaticity and flow of electrons in the molecule.
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