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Theoretica chimica acta

, Volume 51, Issue 4, pp 359–362 | Cite as

Molecular constants for the 1Σ+ ground state of the ArH+ ion

  • Pavel Rosmus
Short Communication

Abstract

From the near equilibrium PNO-CEPA potential and dipole moment curves the following molecular constants for the 1Σ+ ground state of the ArH+ ion have been calculated: re = 1.286Å, ω e = 2723 cm−1, ω e χ e = 56 cm−1, D0 = 3.89 eV and μ0 = 2.384 D. The rotationless radiative lifetimes of the five lowest vibrational states are predicted to be 2.28, 1.2, 0.85, 0.64, 0.46 for ArH+ and 9.09, 4.71, 3.27, 2.55 and 2.11 for ArD+, respectively (all values are in milliseconds and in ascending order of the vibrational levels).

Key words

ArH+ ion, ground state of ∼ 

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Copyright information

© Springer-Verlag 1979

Authors and Affiliations

  • Pavel Rosmus
    • 1
  1. 1.Fachbereich ChemieJohann Wolfgang Goethe-UniversitätFrankfurt (Main)Germany

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