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Deuterium isotope effect on the electron spin resonance spectrum of the cyclopentadienyl radical

Journal Article


Abstract


  • The e.s.r. spectrum shows that, in the radical C5H 4D·, the unpaired electron occupies the ψA and ψS molecular orbitals with the probability 0·515: 0·485, which is consistent with a model which assumes a vibrational perturbation of the Hückel resonance integral β.

Publication Date


  • 1979

Citation


  • Barker, P. J., & Davies, A. G. (1979). Deuterium isotope effect on the electron spin resonance spectrum of the cyclopentadienyl radical. Journal of the Chemical Society, Chemical Communications, (18), 815-816. doi:10.1039/C39790000815

Scopus Eid


  • 2-s2.0-37049099441

Start Page


  • 815

End Page


  • 816

Issue


  • 18

Abstract


  • The e.s.r. spectrum shows that, in the radical C5H 4D·, the unpaired electron occupies the ψA and ψS molecular orbitals with the probability 0·515: 0·485, which is consistent with a model which assumes a vibrational perturbation of the Hückel resonance integral β.

Publication Date


  • 1979

Citation


  • Barker, P. J., & Davies, A. G. (1979). Deuterium isotope effect on the electron spin resonance spectrum of the cyclopentadienyl radical. Journal of the Chemical Society, Chemical Communications, (18), 815-816. doi:10.1039/C39790000815

Scopus Eid


  • 2-s2.0-37049099441

Start Page


  • 815

End Page


  • 816

Issue


  • 18