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

Microwave electronic spectrum of the Ne ? ? ? Ne+ long-range complex: the interaction potential
Microwave electronic spectrum of the Ne ? ? ? Ne+ long-range complex: the interaction potential
The full interaction potential between Ne(S-1) and Ne+(P-2) 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(S-1)+Ne+(P-2) 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 Angstrom, compared with an equilibrium bond length of 1.756 Angstrom 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.
dissociative-recombination, spectroscopy, states, ne-2(+), curves, atoms, coefficients, molecules, systems, dimers
0021-9606
3662-3669
Carrington, Alan
635cd0d2-9196-456a-8226-79f57ccfddd1
Gammie, David I.
77a32654-1e07-4ce3-97b8-68a23535c285
Page, Josephine C.
994e6f96-9657-4a9d-8b88-a014fd49bdfc
Shaw, Andrew M.
3a405da8-4dec-4c93-a378-479a4cc35cfc
Hutson, Jeremy M.
692262de-17f9-4260-be58-e3715d62c5dc
Carrington, Alan
635cd0d2-9196-456a-8226-79f57ccfddd1
Gammie, David I.
77a32654-1e07-4ce3-97b8-68a23535c285
Page, Josephine C.
994e6f96-9657-4a9d-8b88-a014fd49bdfc
Shaw, Andrew M.
3a405da8-4dec-4c93-a378-479a4cc35cfc
Hutson, Jeremy M.
692262de-17f9-4260-be58-e3715d62c5dc

Carrington, Alan, Gammie, David I., Page, Josephine C., Shaw, Andrew M. and Hutson, Jeremy M. (2002) Microwave electronic spectrum of the Ne ? ? ? Ne+ long-range complex: the interaction potential. The Journal of Chemical Physics, 116 (9), 3662-3669. (doi:10.1063/1.1436111).

Record type: Article

Abstract

The full interaction potential between Ne(S-1) and Ne+(P-2) 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(S-1)+Ne+(P-2) 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 Angstrom, compared with an equilibrium bond length of 1.756 Angstrom 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.

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More information

Published date: 1 March 2002
Keywords: dissociative-recombination, spectroscopy, states, ne-2(+), curves, atoms, coefficients, molecules, systems, dimers
Organisations: Chemistry

Identifiers

Local EPrints ID: 19693
URI: http://eprints.soton.ac.uk/id/eprint/19693
ISSN: 0021-9606
PURE UUID: 31e91907-4ea1-45d1-a770-0d602c8fb9f3

Catalogue record

Date deposited: 16 Feb 2006
Last modified: 15 Jul 2019 19:26

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