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Absolute vibrational numbering from isotope shifts in fragmentary spectroscopic data

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Abstract We discuss application of the isotope effect to establish the absolute vibrational numbering in electronic states of diatomic molecules. This is illustrated by examples of states with potential energy… Click to show full abstract

Abstract We discuss application of the isotope effect to establish the absolute vibrational numbering in electronic states of diatomic molecules. This is illustrated by examples of states with potential energy curves of both regular and irregular shape, with one or two potential minima. The minimum number of spectroscopic data (either term values or spectral line positions) necessary to provide a unique numbering is considered. We show that at favourable conditions just four term energies (or spectral lines) in one isotopologue and one term energy in the other suffice.

Keywords: isotope; vibrational numbering; absolute vibrational; spectroscopic data

Journal Title: Journal of Molecular Spectroscopy
Year Published: 2018

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