Intramolecular Electronic Interaction in Pyridinyl Diradicals Temperature Dependence and Electronic Structure

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概要

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• Pyridinyl diradicals, Py(Ac)^・(CH_2)_nPy(Ac)^・, (in which Py(Ac)^・ is 4-CH_3OCC_5H_4N^・, and n=3 and 4) were obtained. Intramolecular electronic interaction between two 4-acetylpyridinyl moieties in the diradical n=3 was observed. Temperature dependence of absorption spectra suggests the conformational equilibrium between the open and closed forms in the diradical n=3 (-ΔH=7.6 kcal and ΔS=-14e.u.). Electronic absorption spectroscopy and SCF-CI molecular orbital calculation reveal that a strong visible absorption band in the closed form diradical (n=3) in ascribed to a charge-transfer band between two pyridinyl moieties.

• 公益社団法人日本薬学会の論文
• 1973-03-25

著者

• 伊藤 道也

  Faculty Of Pharmaceutical Sciences The University Of Tokyo

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• Photochemical Reactions of 6-Cyanophenanthridine 5-Oxide
• Intramolecular Electronic Interaction in Pyridinyl Diradicals Temperature Dependence and Electronic Structure

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