ESR 분광법에 의한 Anthraquinone 치환체의 음이온 라디칼에 대한 초미세 분리상수의 측정과 이론적 해석

  • 홍대일 (계명대학교 자연과학대학 화학과) ;
  • 김경찬 (계명대학교 물리학과) ;
  • 김창진 (대구대학교 자연과학대학 화학과) ;
  • 이갑룡 (효성여자대학교 사범대학 화학교육과)
  • Published : 19940100


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 $\pi$ spin densities for these quinones. The hyperfine splitting constants could be assigned to specific protons on the basis of $\pi$ spin densities.



  1. Photochemistry of Dyed and Pigmented Polymers Allen, N. S.;Mckellar, J. F.
  2. J. Phys. Chem. v.86 Inoue, H.;Hirota, M.;Nakashima, N.;Yoshihara, K.
  3. J. Am. Chem. Soc. v.98 Wishtman, R. M.;Cockrell, J. R.;Murray, R. W.;Burnett, J. N.;Jones, S. B.
  4. J. Chem. Soc., Faraday Trans. v.87 Hamanoue, K.;Nakayama, T.;Ibuki, K.
  5. J. Chem. Phys. v.86 Hamanoue, K.;Nakayama, T.;Tajiwara, Y.;Yamaguchi, T.;Teranishi, T.
  6. J. Chem. Phys. v.36;37 Hoffmann, R.;Lipscomb, W. N.
  7. J. Am. Chem. Soc. v.108 Jorgensen, K. A.;Hoffmann, R.
  8. J. Chem. Phys. v.24 McConnell, H. M.
  9. J. Chem. Phys. v.28 McConnell, H. M.;Dearman, H. H.
  10. Introduction to Quantum Chemistry Yonezawa, T.(et al.)
  11. J. Chem. Soc. v.36 Stone, E. W.;Maki, A. H.
  12. J. Chem. Phys. v.35 Schug, J.;Brown, T. H.;Karplus, M.
  13. J. Chem. Phys. v.35 Karplus, M.;Fraenkel, G. K.
  14. J. Chem. Phys. v.39 no.7 Dehl, R.;Fraenkel, G. K.
  15. J. Chem. Phys. v.37 Gendell, J.;Freed, J. H.;Fraenkel, G. K.
  16. Can. J. Chem. v.57 DeBoer, J. W. M.;Chan Chung, T. Y. C.;Wan, J. K. S.
  17. J. Kor. Chem. Soc. v.34 Hong, D.;Kuwata, K.
  18. J. Kor. Chem. Soc. v.37 Hong, D.;Kim, C. J.
  19. J. Phys. Soc. v.66 Wikinson, F.
  20. Photochemistry and Photobiology v.17 Carlson, S. A.;Hercules, D. M.
  21. J. Chem. Phys. v.39 Hoffmann, R.
  22. J. Chem. Phys. v.37 Freed, J. H.;Fraenkel, G. K.