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Effective rotational Hamiltonian of the local mode vibrational states

✍ Scribed by Qing-shi Zhu

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 384 KB
Volume: 48
Category: Article
ISSN: 1386-1425
DOI: 10.1016/0584-8539(92)80022-o

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✦ Synopsis

The effective rotational Hamiltonians of the local mode states are derived for XY,, XY, and XY4 molecules by averaging the vibration-rotation Hamiltonians using the corresponding local mode vibrational wavefunctions. The results indicate that in a local mode vibrational state the molecular symmetry is reduced by the coupling of Hz term. A tetrahedral molecule reduces to a Cs, symmetric top, a symmetric top becomes an asymmetric top, while the degree of asymmetry increases for an asymmetric top. The vibrational dependences of rotational constants and vibration-rotation coupling parameters predicted by present theory are in good agreement with those obtained experimentally from SiH, local mode vibrational bands.

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