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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.