The Interpretation of the EPR Spectra of the Amorphous State of Group VIB Hydride Radicals by Means of the Gas-phase Data
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概要
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A new procedure for the interpretation of the amorphous EPR spectra of the group VIB hydride radicals, <I>i.e.</I>, OH, SH, SeH, and TeH, is proposed. The point of this method is to combine the observed hyperfme structure of these radicals in the gas phase and the calculation of the anisotropic hyperfine coupling constant. For this purpose, the Slater orbital and analytical Hartree-Fock orbitals were examined as unpaired electron orbitals by the comparative calculation of the hfs constants. The accuracy of this method was evaluated successfully by applying it to the OH radical. Moreover, in the case of the SH radical the newly-observed spectra in the amorphous state could be assigned to the SH radical.
- 公益社団法人 日本化学会の論文
著者
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Kuwata Keiji
Department Of Chemistry Faculty Of Science Osaka University
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Kotake Yashige
Department of Chemistry Faculty of Science, Osaka University
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Ono Mitsuo
Department of Chemistry, Faculty of Science, Osaka University
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