Isotopic and anharmonic perturbations to the dipole active vibrational modes of buckminsterfullerene

@inproceedings{Weeks1992IsotopicAA,
  title={Isotopic and anharmonic perturbations to the dipole active vibrational modes of buckminsterfullerene},
  author={David E Weeks},
  year={1992}
}
Force constants of C60 are obtained by a least squares fit to experimental infrared spectra. Vibrational normal modes are computed and used as a zero order basis to calculate the isotopic perturbation as one of the 60 carbon atoms is continuously varied from 12 to 15 amu. A perturbing mass of 13 amu splits the four, threefold degenerate, dipole active modes by amounts ranging from ∼0.5 to over 2 cm−1. Stereoscopic figures of the perturbed normal modes are displayed. The perturbed modes are used… CONTINUE READING