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.

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. I., Page, J. C., Shaw, A. M., & Hutson, J. M. (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: Aug 19, 2015
• 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
• Public URL: https://durham-repository.worktribe.com/output/1595358