Vibrational analysis of peanut-shaped C120 fullerenes
RIKEN, 2–1 Hirosawa, Wako, Saitama 351–0198, Japan
2 Materials Science Division, Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, 2–12–1 Ookayama, Meguro, Tokyo 152–8550, Japan
Corresponding author: a firstname.lastname@example.org
Published online: 3 July 2003
The normal modes of peanut-shaped C120 fullerenes, which appear as stable intermediate isomers between the [2+2] dumbbell C120 and the completely coalesced C120 nanotube [ H. Ueno, S. sawa, E. sawa, K. Takeuchi, Full. Sci. Technol. 6, 319 (1998)] , were investigated by semi-empirical AM1 method. It was found that the peanut-shaped C120 isomers have a feature of infrared (IR) absorption band in the range cm-1, which is attributed to the in-plane atomic motions in their negative curvature region.
PACS: 31.15.Ct – Semi-empirical and empirical calculations (differential overlap, Hückel, PPP methods, etc.) / 33.20.Tp – Vibrational analysis / 71.20.Tx – Fullerenes and related materials; intercalation compounds
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003