Electron spin resonance spectra: geometrical and electronic structure of endohedral fullerenes

[Pt@Pb12]2−

“…The endohedral fullerenes (e.g. [La@C 60 ]) have received significant attention due to their unusual physical, electronic, and spectroscopic properties [28][29][30][31] and the centered Zintl clusters should prove to be equally interesting. [32] During the review process of this manuscript, we learned of the theoretical studies of Schleyer, King, Lievens, and coworkers regarding the aromatic nature of the closely related icosahedral [Si 12 ] 2À cluster, [33] its anomalous paratropic chemical shift, [33] and the identification of the isoelectronic [Al@ Pb 12 ] + ion by mass spectroscopy.…”

ESR parameters of a series of La@C n isomers

“…It is expected that the chemical and physical properties of metallofullerenes can be modulated by varying the endohedral atom(s) and by changing the structure of the outer fullerene cage [2][3][4][5]. However, most investigations were performed for M@Csz which were detected and isolated in pure form [6][7][8][9][10]; especially La@C82 was extensively investigated by electron spin resonance (ESR) spectroscopy [11][12][13][14][15][16][17]. Investigations of the other cages were limited because of their low abundance and low stability under atmospheric conditions [18][19][20][21][22].…”

Magnetic Properties and Diffusion of Adatoms on a Graphene Sheet

“…These 13 C ESR satellite spectra may contain information about the adatom interaction with the graphene. In an effort to make some predictions with regard to possible signals generated by these defects we have applied the Karplus-Fraenkel relation [34,35]. We first integrated the spin density in spheres of increasing radii around the relevant atoms.…”