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KMID : 1059519940380010013
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Journal of the Korean Chemical Society
1994 Volume.38 No. 1 p.13 ~ p.20
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The Measurement of Hyperfine Splitting Constants and Theoretical Assignment for Substituted Anthraquinone Radical Anions by ESR Spectroscopy
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Hong Dae-Il
Kim Kyung-Chan
Kim Chang-Jin
Lee Gap-Ryong
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Abstract
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Substituted anthrasemiquinone radical anions, which were formed by laser flash photoreduction of the substituted anthraquinone (1,4-DHAQ, 1,5-DHAQ, 1,8-DHAQ, 1,8-DCAQ), were studied by the electron spin resonance spectroscopy in the mixed solvents of the 2-propanol and the triethylamine. Hyperfine splitting constants (hfsc) were determined by simulating the ESR spectra. Extended Huckel Molecular Orbital (EHMO) calculations were performed to obtain π spin densities for these quinones. The hyperfine splitting constants could be assigned to specific protons on the basis of π spin densities.
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