Magnetic circular dichroism studies of bipyridyls.
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概要
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The magnetic circular dichroism (MCD) and UV absorption spectra of 2,2′- and 4,4′-bipyridyl in cyclohexane and sulfuric acid were measured at room temperature. The MCD spectrum of 2,2′-bipyridyl is different from that of 4,4′-bipyridyl, reflecting the difference in molecular symmetry between them. The absorption and MCD spectral profiles of 2,2′-bipyridyl in cyclohexane are different from those of 2,2′-bipyridyl in mineral acids, in this system protonation taking place on the nitrogen atoms to give a mono- or di-cation with low symmetry. On the contrary, the MCD spectra of 4,4′-bipyridyl in cyclohexane and in acidic media at pH 0.98 exhibit a similar spectral profile to each other due to the D<SUB>2</SUB> symmetry being retained in 4,4′-bipyridyl. Theoretical calculations were carried out on the basis of the PPP-SCF-CI method to get a reasonable explanation for the observed MCD spectra. The assignments of the MCD bands of these compounds are given and their dihedral angles are estimated.
- 公益社団法人 日本化学会の論文
著者
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Hatano Masahiro
Chemical Research Institure Of Non-aqueous Solutions Tohoku University
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Tajiri Akio
Chemical Research Institute of Non-aqueous Solutions, Tohoku University
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Uchimura Hiroyuki
Chemical Research Institute of Non-aqueous Solutions, Tohoku University
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