Bond Distortions and Related Phenomena in <I>Peri</I>-Condensed Tetracyclic Nonbenzenoid Aromatic Hydrocarbons
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概要
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On the basis of the second-order Jahn-Teller effect and SCF MO method, we have examined the geometrical structures with respect to bond length and the ground-state multiplicity and stability of <I>peri</I>-condensed tetracyclic nonbenzenoid aromatic hydrocarbons. It was found that of the molecules examined, dibenzo[cd, gh]pentalene (III) and its seven-membered analogue (IV) should have a triplet ground-state, exhibiting no appreciable double-bond fixation in the peripheral carbon skeleton. The other molecules were predicted to suffer the first-order or second-order bond distortions, showing a more or less marked double-bond fixation. The electronic spectra were calculated using the bond distances obtained on the basis of SCF MO method.
- 公益社団法人 日本化学会の論文
著者
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Toyota Azumao
Department Of Chemistry Faculty Of Education Art And Science Yamagata University
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Nakajima Takeshi
Department of Chemistry Faculty of Science Tohoku University
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Nakajima Takeshi
Department of Chemistry, Faculty of Science, Tohoku University
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Toyota Azumao
Department of Chemistry, Faculty of Science, Tohoku University
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