Electronic Spectra and Structures of Organic π-Systems. VI. Electronic States of Diazomethane, Ketene, Diazocyclo-pentadiene and Benzenediazonium Ion
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概要
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The electronic states of diazomethane, ketene, diazocyclopentadiene and benzenediazonium ion were studied by the semi-empirical ASMO LCAO SCF CI method. Both π- and \barπ-systems were taken into consideration. Two types of approximations, Mulliken's formula and a new semitheoretical formula, were used in the evaluation of the core resonance integrals. The latter gives satisfactory results though it contains no arbitrary adjustable parameters. The longest wavelength singlet-singlet transition of diazomethane, ketene or diazocyclopentadiene is <SUP>1</SUP>π–<SUP>1</SUP>\barπ, and that of benzenediazonium ion <SUP>1</SUP>π–<SUP>1</SUP>π.
- 公益社団法人 日本化学会の論文
著者
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Yoshida Zen-ichi
Department Of Applied Chemistry Faculty Of Science And Engineering Kinki University
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Kobayashi Tsunetoshi
Department of Synthetic Chemistry, Faculty of Engineering, Kyoto University
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