• Media type: E-Article
  • Title: Rotation–vibration spectra of icosahedral molecules. I. Icosahedral symmetry analysis and fine structure
  • Contributor: Harter, William G.; Weeks, David E.
  • Published: AIP Publishing, 1989
  • Published in: The Journal of Chemical Physics, 90 (1989) 9, Seite 4727-4743
  • Language: English
  • DOI: 10.1063/1.456659
  • ISSN: 0021-9606; 1089-7690
  • Origination:
  • Footnote:
  • Description: Icosahedral symmetry analysis is developed for analyzing eigensolutions of rovibrational tensor Hamiltonians for molecules such as B12H12−2, C20H20, and C60. Simplified asymptotic formulas and procedures are developed for obtaining rotational spectral fine structure for high angular momentum. J=100 eigenlevels for sixth- and tenth-rank icosahedral tensors are discussed using different approximations and visualization schemes.