Simultaneous Rovibrational Analysis of the nu2, nu3, nu5, and nu6 Bands of H313CF. 1998

Papousek, and Winnewisser, and Klee, and Demaison, and Pracna
Zlicínská 18, Prague 6, 169 00, Czech Republic

A total of 6071 transition wavenumbers of the nu2, nu3, nu5, and nu6 fundamental bands of H313CF and 1689 frequencies of the rotational transitions in the v2 = 1, v3 = 1, v5 = 1, and v6 = 1 vibrational states have been fitted simultaneously by taking into account various Coriolis interactions, l-type interactions, and alpha-resonance terms between and within the vibrational states. The standard deviation of the fit using 75 parameters was final sigma = 7.63 x 10(-5) cm-1 for the infrared data and 0.150 MHz for the rotational data. The possibility of obtaining a quantitative fit of the very precise data of high-resolution Fourier transform and submillimeter-wave spectroscopy for a semirigid symmetric top molecule is discussed. Copyright 1998 Academic Press.

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