Totally Symmetric Vibrational Modes of Fullerene C[sub 60].

Autor: Bubel’, O. N., Vyrko, S. A., Kislyakov, E. F., Poklonskiı, N. A.
Předmět:
Zdroj: JETP Letters; 6/25/2000, Vol. 71 Issue 12, p508, 3p
Abstrakt: Semiempirical molecular orbital calculations are carried out for the totally symmetric vibrations of the C[sub 60] molecule. The calculated equilibrium geometry coincides with the precision experimental data to within measurement error. The ratio of force constants calculated for the two different types of C–C bonds in fullerene is equal to 1.389. A comparison of the computational results with the Raman scattering data indicates that there may be Fermi resonance between the totally symmetric vibrations. © 2000 MAIK “Nauka / Interperiodica”. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index