The structure and electronic state of photoexcited fullerene linked with a nitroxide radical based on an analysis of a two-dimensional electron paramagnetic resonance nutation spectrum

Norikazu Mizuochi, Yasunori Ohba, Seigo Yamauchi

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35 Citations (Scopus)

Abstract

An electron paramagnetic resonance (EPR) study of 3,4-fulleropyrrolidine-2-spiro-4′-[2′,2′,6′,6′- tetramethyl]piperidine-1′-oxyl (1) was performed on the photoexcited quartet state in toluene glass. The spectrum of the |S,Ms〉=|3/2,±3/2〉⇔|3/2,±1/2〉 transitions was observed selectively by using a two-dimensional (2D) nutation method and analyzed with a spectral simulation in a randomly oriented system. A position of the nitroxide moiety was determined with respect to the zero-field splitting (zfs) axes of excited triplet fullerene (3C60) by taking into account of the dipolar-dipolar interaction between the radical and 3C60, the hyperfine coupling, the anisotropic g-value of the nitroxide radical, and the zfs of the 3C60 moiety. It was found that none of the zfs axes of the 3C60 moiety coincide with the local C2 axis of the molecule which is defined by the position of addition. A symmetry of the electronic structure in 3C60 is discussed on the basis of the result.

Original languageEnglish
Pages (from-to)3479-3487
Number of pages9
JournalJournal of Chemical Physics
Volume111
Issue number8
DOIs
Publication statusPublished - 1999 Aug 22

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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