The Electronic Absorption Spectra and Electronic Structures of Aromatic Azides, Nitrenes, and Diazonium Ions
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概要
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Electronic spectra were measured for azidobenzene, 1-azidopyrene, benzenediazonium ion, and 1-pyrenediazonium ion at room temperature, and also for nitrenobenzene and 1-nitrenopyrene at liquid nitrogen temperature. The π-electron structures of these compounds were calculated by the Pariser-Parr-Pople LCAO SCF MO CI method for the closed-shell systems and by the restricted open-shell SCF MO CI method for the open-shell systems. The calculated transition energies and oscillator strengths could satisfactorily explain the observed spectra. It was shown that the π-electron structures of azidobenzene and nitrenobenzene are similar to those of dimethylaniline and the benzyl or anilino radical, respectively.
- 公益社団法人 日本化学会の論文
著者
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Yamaoka Tsuguo
The Institute for Solid State Physics, The University of Tokyo
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Iwata Suehiro
The Institute for Solid State Physics, The University of Tokyo
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Kashiwagi Hiroshi
The Institute for Solid State Physics, The University of Tokyo
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Nagakura Saburo
The Institute for Molecular Science
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