Probing the zero-field splitting in the ordered N@C60 in buckycatcher C60H28 studied by EPR spectroscopy

The electronic structure of the endohedral fullerene ¹⁴N@C₆₀ spatially ordered in the crystal state by its supramolecular assembly with a buckycatcher C₆₀H₂₈ was investigated by X-band electron paramagnetic resonance (EPR) spectroscopy. The zero-field splitting (ZFS) found in the complex is significantly enhanced in comparison to the earlier reported data for the analogous systems. The large ZFS, presumably induced by the molecular order in the supramolecular complex makes it an attractive material for the future quantum control and coherence studies.