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Microwave electronic spectrum of the Ne⋯Ne+ long-range complex: The interaction potential

Carrington, A.; Gammie, D.I.; Page, J.C.; Shaw, A.M.; Hutson, J.M.

Microwave electronic spectrum of the Ne⋯Ne+ long-range complex: The interaction potential Thumbnail


Authors

A. Carrington

D.I. Gammie

J.C. Page

A.M. Shaw



Abstract

The full interaction potential between Ne(1S) and Ne+(2P) is determined by least-squares fitting of potential parameters to spectroscopic data, principally from the near-dissociation microwave spectra of the Ne+2 complex. The potential obtained in this way incorporates the potential curves for all six electronic states correlating with Ne(1S)+Ne+(2P) and the couplings between them. Coupled-channel calculations on the potential take account of breakdown of the Born–Oppenheimer approximation and provide an accurate description of the microwave rovibronic spectrum involving levels within ∼10 cm−1 of the first dissociation limit. The Ne+2 ions are both vibrationally and rotationally hot: the spectrum involves levels up to at least J=25/2 and there is evidence for transitions involving levels near the second dissociation limit. The long-range levels involved have 〈r〉 up to 12 Å, compared with an equilibrium bond length of 1.756 Å for the ground electronic state. The long-range parameters of the interaction can be extracted from the fit and are compared with recent theoretical values.

Citation

Carrington, A., Gammie, D., Page, J., Shaw, A., & Hutson, J. (2002). Microwave electronic spectrum of the Ne⋯Ne+ long-range complex: The interaction potential. The Journal of Chemical Physics, 116(9), 3662-3669. https://doi.org/10.1063/1.1436111

Journal Article Type Article
Publication Date Mar 1, 2002
Deposit Date Aug 19, 2015
Publicly Available Date Mar 29, 2024
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 1089-7690
Publisher American Institute of Physics
Peer Reviewed Peer Reviewed
Volume 116
Issue 9
Pages 3662-3669
DOI https://doi.org/10.1063/1.1436111

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Copyright Statement
© 2002 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics 116, 3662 (2002) and may be found at http://dx.doi.org/10.1063/1.1436111




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