NMR studies on monofunctionalized fullerenyl cation and anion encapsulating a H2 molecule.
(1)H NMR chemical shifts of molecular hydrogen encapsulated in dichloromethyl-C(60) cation and (1-octynyl)-C(60) anion were studied to clarify the difference in magnetic shielding effects inside the fullerene cages. The signals of the H(2) molecule inside both cationic and anionic C(60) cages appeared at lower fields than those of the neutral counterparts. These results were interpreted based on the results of NICS calculations. It was demonstrated that the H(2) molecule inside the C(60) cages can serve as an excellent NMR probe of aromaticity for both cationic and anionic C(60) derivatives.
Murata
Michihisa
M
Institute for Chemical Research, Kyoto University, Uji, Japan.
Ochi
Yuta
Y
Kitagawa
Toshikazu
T
Komatsu
Koichi
K
Murata
Yasujiro
Y