Abstract

AbstractWe report the encapsulation of N@C60 and N@C70 in a solid state matrix consisting of 2,4,6‐tris‐(4‐bromophenoxy)‐1,3,5‐triazine (BrPOT). Two different crystal structures were observed – hexagonal and rhombohedral. The carbon cage of the fullerenes is distorted, leading to zero field splitting (ZFS) of the quartet electronic ground state of the nitrogen atom, which depends on the crystal structure and on the solvent used in the crystallization process. N@C60 hexagonal crystals show no ZFS when they are obtained from toluene solution and a small ZFS in the case of CS2, while rhombohedral crystals show sizeable ZFS but they were found only in the toluene samples. N@C70 incorporates only in hexagonal crystals with small ZFS in the case of CS2. For toluene the ZFS is observed only at temperatures lower than 150 K. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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