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Synthesis and electronic structures of D2h-symmetry tetrabenzoporphyrins |
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| Authors: | Atsuya Muranaka Masaharu Numao Nagao Kobayashi |
| Affiliation: | a Department of Chemistry, Graduate School of Science, Tohoku University, Aobayama, Sendai 980-8578, Japan b Graduate School of Pharmaceutical Science, Tohoku University, Aobayama, Sendai 980-8578, Japan c Center for the Advancement of Higher Education, Tohoku University, Kawauchi, Sendai 980-8576, Japan |
| Abstract: | A novel low-symmetry tetrabenzoporphine with D2h symmetry (1) and its zinc complex (2) were prepared via mixed condensation reaction of 5,6-dimethyl phthalimide and 4,5,6,7-tetraphenyl phthalimide with sodium acetate in the presence of zinc acetate. The zinc complex 2 exhibited a split Q band at 640 and 623 nm and a single Soret band at 435 nm. The absorption spectra of 1 and 2 were calculated and analyzed using Hartree-Fock theory based on INDO/S Hamiltonian. |
| Keywords: | Porphyrinoids Benzoporphyrins Magnetic circular dichroism Density functional theory Semiempirical calculations |
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