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NMR Studies on Monofunctionalized Fullerenyl Cation and Anion Encapsulating a H 2 Molecule
Author(s) -
Murata Michihisa,
Ochi Yuta,
Kitagawa Toshikazu,
Komatsu Koichi,
Murata Yasujiro
Publication year - 2008
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.200800080
Subject(s) - cationic polymerization , molecule , chemistry , aromaticity , fullerene , chemical shift , ion , crystallography , carbon 13 nmr , proton nmr , stereochemistry , polymer chemistry , organic chemistry
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.