Effects of interaction between the chelate rings and π‐conjugated systems in fused salphen complexes on UV‐Vis‐NIR spectra |
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Authors: | Hirohiko Houjou Keisuke Yagi Isao Yoshikawa Toshiki Mutai Koji Araki |
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Affiliation: | Institute of Industrial Science, The University of Tokyo, Meguro‐ku, Tokyo, Japan |
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Abstract: | Dinuclear (Zn2, Ni2, and NiZn) complexes of fused salphen with acene‐type annelation were synthesized from 3,7‐diformyl‐2,6‐dihydroxynaphthalene. The spectroscopic properties of these complexes were compared with those of their constitutional isomers with phene‐type annelation. The acene‐type complexes exhibited a characteristic absorption band in the near‐infrared region that showed a noticeable solvent effect. Time‐dependent density functional theory calculations suggested that the absorption arose from a π → π* transition localized at the naphthalene ring, which was perturbed by the adjoining chelate rings. Effects of the connection topology in the fused salphen complexes are discussed by comparison with those of polycyclic aromatic hydrocarbons. |
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Keywords: | aromaticity conjugation density functional calculations isomer effect near‐infrared absorption polycyclic aromatic hydrocarbon Schiff bases transition metal UV‐Vis spectroscopy |
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