No abstract

The unfavorable D3h isomer of the C78 fullerene cage is present in Sc3N@C78, an endohedral fullerene which has been prepared by the trimetallic nitride template process. The crystal structure of the fullerene–porphyrin adduct Sc3N@C78⋅[Co(oep)]⋅1.5 C6H6⋅0.3 CHCl3 (oep=octaethylporphyrin) shows that the scandium atoms are located over the centers of the [6,6] ring junctions of pyracylene patches on the inner surface of the fullerene (see picture).

The new functionalized trimetallic nitride endohedral metallofullerene species Gd(3)N@C(80)[DiPEG5000(OH)(x)] is an effective proton relaxation agent, as demonstrated with in vitro relaxivity and MR imaging studies, in infusion experiments with agarose gel and in vivo rat brain studies simulating clinical conditions of direct intraparenchymal drug delivery for the treatment of brain tumors.

The structure of isomer 2 of Tb3N@C84 has been determined through single-crystal X-ray diffraction on Tb3N@C84.NiII(OEP).2(C6H6). The carbon cage has a distinct egg shape due to the presence of a single pair of fused pentagons at one apex of the molecule. Thus, although 24 IPR structures are available to the C84 cage, Nature utilizes one of the 51 568 isomeric structures that do not conform to the IPR for this unusual molecule. The Tb3N portion of isomer 2 of Tb3N@C84 is strictly planar. One Tb atom is nestled within the fold of the fused pentagons, while the other Tb atoms are disordered over four pairs of sites.