Recent advances in the structural determination of endohedral metallofullerenes

Ab initio infrared vibrational modes for neutral and charged small fullerenes (C 20 , C 24 , C 26 , C 28 , C 30 and C 60 )

“…This is coherent with the ionic metal-fullerene bonding model whereby charge is transferred from the metal to the fullerene and is not highly localized. This phenomenon has been investigated by Kobayashi and co-workers [23,24] and shown to be the norm (with the exception of the Sc 3 N@C n− 78 system, which shows covalent characteristics). Experimentally, the vibrational spectra of M@C 82 (Y, La, Ce, Gd) in the IR range were measured by Lebedkin et al [25].…”

Multi-mode ground state interaction terms in C60-based electron donor-acceptor complexes

“…Such complexes have been largely studied [35,36] and form a good testing ground for the suggested approach.…”

Endohedral Metallofullerene Derivative: La@C82(C6H3Cl2)

“…1,2 Since Smalley and co-workers reported in 1991 that lanthanum metallofullerenes were produced abundantly in the soot, but only La@C 82 was extracted with toluene, 3 the chemistry of soluble endohedral metallofullerenes has started and up to now, many soluble endohedral metallofullerenes have been isolated and characterized. 1,2,[4][5][6][7][8] On the contrary, insoluble endohedral metallofullerenes such as La@C 60 , La@C 70 , and La@C 72 , La@C 74 and so forth have not yet been isolated, although they are regularly observed in the raw soot by mass spectrometry. Recently, we have reported the preparation and characterization of La@C 72 and La@C 74 derivatives, La@C 72 (C 6 H 3 Cl 2 ) 9 and La@C 74 (C 6 H 3 Cl 2 ).…”