Fitting the rovibrational spectra of symmetric tops with unitary equivalent sets of parameters: The ν5 band of D370GeH

D. Papousek, Y. C. Hsu, H. Burger, K. Sarka

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Abstract

The high-resolution FTIR spectra of the ν5 band of monoisotopic D370GeH have been fitted by two sets of parameters corresponding to different reductions of the effective rotational Hamiltonian for the doubly degenerate vibrational state of a molecule of C symmetry. The unitary equivalence of both sets of parameters has been verified by using relations which follow from the theory of the reduction of the effective rotational Hamiltonians of C molecules. This made it possible to determine “true” values of the parameters of the Δl = ±2, Δk = ∓1 and Δl = 0, Δk = ±3 interactions, as well as of the higher-order terms ηJ and ηK in the z-Coriolis coupling. Relations between unitary equivalent sets of spectroscopical parameters are compared for the ν10) = 1 vibrational state of CF3CCH, ν6 = 1 of CDF3, and ν5) = 1 of D370GeH.

Original languageEnglish
Pages (from-to)243-252
Number of pages10
JournalJournal of molecular spectroscopy
Volume169
Issue number1
DOIs
StatePublished - Jan 1995

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