The number of bound vibrational levels in a diatomic molecule

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Abstract

A simple semiempirical expression has been developed for estimating the effective non-integer vibrational index at dissociation, υD, in diatomic systems. The expression is given by,υD=1. 78349×Deωe-58,where the dissociation energy and the fundamental vibrational frequency must be expressed in the same units. This expression gives reliable results for a wide variety of ground electronic states of neutral systems, but underestimates the vibrational index for diatomic cations, most excited states and zero bond-order molecules. The expression is successful for electronic states that have a Birge-Sponer plot displaying a downward curvature as the dissociation limit is approached.

Original languageEnglish
Pages (from-to)1-4
Number of pages4
JournalJournal of Molecular Spectroscopy
Volume286-287
Issue number1
DOIs
Publication statusPublished - 2013

Keywords

  • Birge-Sponer
  • Dissociation limit
  • Vibrational index
  • Vibrational levels

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