Vibrational analysis of peanut-shaped C120 fullerenes.

Authors :: Hara, T.
Onoe, J.
Source :: European Physical Journal D (EPJ D). Jun2003, Vol. 24 Issue 1-3, p389-392. 4p.
Publication Year :: 2003
Abstract: 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. Ōsawa, E. Ōsawa, 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 1300–1400 cm–1, which is attributed to the in-plane atomic motions in their negative curvature region. [ABSTRACT FROM AUTHOR]