Mobility of O+ in He and interaction potential of HeO+
Mobility of O+ in He and interaction potential of HeO+
New experimental measurements are reported for the mobility of O+ ions in He gas at 300 K. The accuracy of these new values is estimated as +/- 2.5%, which allows them to serve as a stringent test of a new ab initio potential that we have calculated using the RCCSD(T) method. We employed the aug-cc-pV5Z basis set with counterpoise corrections and took spin-orbit coupling into account. The present experimental values lie below the calculated ones, but the difference becomes statistically significant only at moderate and high values of the ratio of the electric field strength to the gas number density; even there they are only marginally significant.
ion-molecule reactions, wide energy-range, transport-coefficients, charge-transfer, electron-capture, thermal-energy, gaseous-ions, helium, gas, o2
1-6
Danailov, Danial M.
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Brothers, Renee
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Johnsen, Rainier
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Wright, Timothy G.
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Lee, Edmond P.F.
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2006
Danailov, Danial M.
4a9f96b2-1744-41ce-9bbe-72ff0d6a6f10
Brothers, Renee
bb6d6d92-2c6d-4def-8eda-e4281404603d
Johnsen, Rainier
5433830c-0f40-4cf5-a66b-7d293c370c85
Wright, Timothy G.
20c2bf2d-6181-4571-9fdc-af171ad62cd5
Lee, Edmond P.F.
f47c6d5d-2d1f-4f03-a3ff-03658812d80b
Danailov, Danial M., Brothers, Renee, Johnsen, Rainier, Wright, Timothy G. and Lee, Edmond P.F.
(2006)
Mobility of O+ in He and interaction potential of HeO+.
Journal of Chemical Physics, 125 (8), .
(doi:10.1063/1.2337634).
Abstract
New experimental measurements are reported for the mobility of O+ ions in He gas at 300 K. The accuracy of these new values is estimated as +/- 2.5%, which allows them to serve as a stringent test of a new ab initio potential that we have calculated using the RCCSD(T) method. We employed the aug-cc-pV5Z basis set with counterpoise corrections and took spin-orbit coupling into account. The present experimental values lie below the calculated ones, but the difference becomes statistically significant only at moderate and high values of the ratio of the electric field strength to the gas number density; even there they are only marginally significant.
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Published date: 2006
Keywords:
ion-molecule reactions, wide energy-range, transport-coefficients, charge-transfer, electron-capture, thermal-energy, gaseous-ions, helium, gas, o2
Organisations:
Chemistry
Identifiers
Local EPrints ID: 44415
URI: http://eprints.soton.ac.uk/id/eprint/44415
ISSN: 0021-9606
PURE UUID: 5b8d7366-b4e1-4729-8083-e9bbab1079db
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Date deposited: 02 Mar 2007
Last modified: 15 Mar 2024 09:03
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Contributors
Author:
Danial M. Danailov
Author:
Renee Brothers
Author:
Rainier Johnsen
Author:
Timothy G. Wright
Author:
Edmond P.F. Lee
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