Born-Oppenheimer effects and vibration-rotational spectra of linear molecules

Author: Teffo J.-L.   Ogilvie J.F.  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.80, Iss.6, 1993-12, pp. : 1507-1524

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Abstract

A quantitative treatment of adiabatic and non-adiabatic effects in the vibration-rotational spectra of a linear polyatomic molecule is applied to the available spectral data of carbon dioxide. The results include a potential-energy function in displacement coordinates up to the sixth power and parameters corresponding to adiabatic and non-adiabatic effects for the primary vibrational and rotational quantities that are independent of nuclear masses, the equilibrium internuclear distance R BO e = (1·159 979 2 ± 0·000 002 2) × 10 -10 m, and an estimate of the rotational g factor that agrees with the value more accurately determined from experiments on molecular beams.