La@C₇₂ Having a Non-IPR Carbon Cage

Abstract

We show here that La@C72 has a non-IPR cage, unique electronic properties, and high reactivity by the spectroscopic and X-ray crystallographic analysis and the theoretical study. The isolation of La@C72 as a stable derivative might constitute an important stepping-stone on the way to isolation of these unknown metallofullerenes and open new material science of metallofullerenes.

Synthesis of Long‐Sought C66 with Exohedral Stabilization

“…Herein, we describe the stabilization of C 66 (#4348, as specified by the FowlerManolopoulos spiral code [2] ) by exohedral chlorination (Figure 1) to give the first non-IPR fullerene synthesizable in an exohedral form that corresponds to a previously identified fullerene stabilized by endohedral encapsulation: Sc 2 @C 66 reported by Shinohara and co-workers in 2000. [7] Note that the present case is different from that of previously reported La@C 72 (C 6 H 3 Cl 2 ), [8] for which both an endo atom (La) and an exo group (C 6 H 3 Cl 2 ) were simultaneously linked to an individual fullerene cage (C 72 ).…”

Magnetic Properties and Crystal Structure of Solvent‐Free Sc@C82 Metallofullerene Microcrystals

“…[1] Characteristic structures of various metallofullerenes have been investigated by 13 C NMR [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18] and X-ray powder diffraction. [14][15][16][17][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34] Since the first X-ray structural determination of Y@C 82 , [19] the molecular structures of various monometallofullerenes M@C 82 have been determined by 13 C NMR [5][6][7]13] and X-ray analyses. [21,23,32,33] In particular, Gd@C 82 …”

Buckyballs

“…However, along with further studies, recently several C 72 -based species have been successfully prepared and characterized, namely La 2 @D 2 (10611)-C 72 [275], Ce 2 @D 2 (10611)-C 72 [276], La@C 2 (10612)-C 72 [277], and Sc 2 S@Cs (10528)-C 72 [278].…”