An ENDOR study of diphenyl nitroxide and its methyl derivatives, the effect of the methyl substitution.

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概要

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• The ENDOR spectra of diphenyl nitroxide (DPNO) and its monomethyl derivatives were observed in ethylbenzene at −70 °C. The agreement between the ESR and ENDOR data is generally good. The MO calculations, however, indicate a few disagreements in the case of the <I>m</I>- and <I>o</I>-methyl DPNO derivatives. The methyl substitution at the meta-position destroys the equivalency of all protons at the meta-positions, which are divided into two sets of equivalent proton groups of the same number. The ortho-substitution weakens the coplanarity of the two benzene rings and increases the number of the equivalent proton groups, which are fully resolved in the ENDOR spectrum. The steric hindrance is taken into account in the MO calculation, which can predict these slightly different coupling groups-again except for those in the meta-positions. A satisfactorily simulated spectrum of the <I>o</I>-methyl DPNO is obtained on the basis of the ENDOR data.

• 公益社団法人 日本化学会の論文

著者

• YAMAUCHI Jun

  College of Liberal Arts and Sciences, Kyoto University

• Deguchi Yasuo

  College Of Liberal Arts And Science Kyoto University

• Yamauchi Jun

  College Of Liberal Arts And Sciences Kyoto University

• Okada Keiichi

  College of Liberal Arts and Sciences, Kyoto University

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