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Publication Detail
Probing the C₆₀ triplet state coupling to nuclear spins inside and out.
  • Publication Type:
    Journal article
  • Publication Sub Type:
    Journal Article
  • Authors:
    Filidou V, Mamone S, Simmons S, Karlen SD, Anderson HL, Kay CW, Bagno A, Rastrelli F, Murata Y, Komatsu K, Lei X, Li Y, Turro NJ, Levitt MH, Morton JJ
  • Publication date:
  • Pagination:
    20120475, ?
  • Journal:
    Philos Trans A Math Phys Eng Sci
  • Volume:
  • Issue:
  • Country:
  • Print ISSN:
  • PII:
  • Language:
  • Keywords:
    electron paramagnetic resonance, endofullerenes, nuclear spin, ortho—para interconversion, triplet state
The photoexcitation of functionalized fullerenes to their paramagnetic triplet electronic state can be studied by pulsed electron paramagnetic resonance (EPR) spectroscopy, whereas the interactions of this state with the surrounding nuclear spins can be observed by a related technique: electron nuclear double resonance (ENDOR). In this study, we present EPR and ENDOR studies on a functionalized exohedral fullerene system, dimethyl[9-hydro (C60-Ih)[5,6]fulleren-1(9H)-yl]phosphonate (DMHFP), where the triplet electron spin has been used to hyperpolarize, couple and measure two nuclear spins. We go on to discuss the extension of these methods to study a new class of endohedral fullerenes filled with small molecules, such as H₂@C₆₀, and we relate the results to density functional calculations.
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