Probing the C 60 triplet state coupling to nuclear spins inside and out

Author:

Filidou Vasileia12,Mamone Salvatore3,Simmons Stephanie12,Karlen Steven D.4,Anderson Harry L.4,Kay Christopher W. M.15,Bagno Alessandro6,Rastrelli Federico6,Murata Yasujiro7,Komatsu Koichi7,Lei Xuegong8,Li Yongjun8,Turro Nicholas J.8,Levitt Malcolm H.3,Morton John J. L.19

Affiliation:

1. London Centre for Nanotechnology, University College London, London WC1H 0AH, UK

2. Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, UK

3. School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK

4. Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK

5. Institute of Structural and Molecular Biology, University College London, Gower Street, London WC1E 6BT, UK

6. Dipartimento di Scienze Chimiche, Università di Padova, via Marzolo 1, 35131 Padova, Italy

7. Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan

8. Department of Chemistry, Columbia University, New York, NY 10027, USA

9. Department of Electronic and Electrical Engineering, University College London, London WC1E 7JE, UK

Abstract

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(9 H )-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 H 2 @C 60 , and we relate the results to density functional calculations.

Publisher

The Royal Society

Subject

General Physics and Astronomy,General Engineering,General Mathematics

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