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Stability, thermal homolysis and intermediate phases of solid hydroazafullerene C59HN
Denis Arcon1, Matej Pregelj, Pavel Cevc
1Institute Jozef Stefan, Jamova 39, 1000 Ljubljana, Slovenia. denis.arcon@ijs.si
Abstract:
Density functional (DFT) calculations, high-temperature electron paramagnetic resonance (EPR) and transmission electron microscopy (TEM) results suggest that thermal homolysis of C59HN involves a remarkably stable intermediate C59N-C59HN* structure characterised by charge redistribution from a C59N* radical to a bonded C59HN.
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