Extensions of the recently introduced “Morse/long-range” (MLR) potential function form allow a straightforward treatment of a molecular state for which the inverse-power long-range potential changes character with internuclear separation. Use of this function in a direct-potential-fit analysis of a combination of new fluorescence data for , , and with previously reported data for the and states yields accurate, fully analytic potentials for both states, together with the analytic “adiabatic” Born–Oppenheimer breakdown radial correction functions which are responsible for the difference between the interaction potentials and well depths for the different isotopologues. This analysis yields accurate well depths of and and scattering lengths of and for the ground-states of and , respectively, as well as improved atomic radiative lifetimes of for and for .
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28 November 2009
Research Article|
November 25 2009
Accurate analytic potentials for and from 2 to 90 Å, and the radiative lifetime of
Robert J. Le Roy;
Robert J. Le Roy
a)
1Department of Chemistry,
University of Waterloo
, Waterloo, Ontario N2L 3G1, Canada
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Nikesh S. Dattani;
Nikesh S. Dattani
1Department of Chemistry,
University of Waterloo
, Waterloo, Ontario N2L 3G1, Canada
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John A. Coxon;
John A. Coxon
2Department of Chemistry,
Dalhousie University
, Halifax, Nova Scotia B3H 4J3, Canada
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Amanda J. Ross;
Amanda J. Ross
3Laboratoire de Spectrométrie Ionique et Moléculaire, UMR 5579 Université Lyon 1 and CNRS,
Université de Lyon
, 43 Bd. du 11 Novembre 1918, Villeurbanne Cedex 69622, France
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Patrick Crozet;
Patrick Crozet
3Laboratoire de Spectrométrie Ionique et Moléculaire, UMR 5579 Université Lyon 1 and CNRS,
Université de Lyon
, 43 Bd. du 11 Novembre 1918, Villeurbanne Cedex 69622, France
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Colan Linton
Colan Linton
4Department of Physics,
University of New Brunswick
, Fredericton, New Brunswick E3B 5A3, Canada
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a)
Electronic mail: leroy@uwaterloo.ca.
J. Chem. Phys. 131, 204309 (2009)
Article history
Received:
August 07 2009
Accepted:
October 27 2009
Citation
Robert J. Le Roy, Nikesh S. Dattani, John A. Coxon, Amanda J. Ross, Patrick Crozet, Colan Linton; Accurate analytic potentials for and from 2 to 90 Å, and the radiative lifetime of . J. Chem. Phys. 28 November 2009; 131 (20): 204309. https://doi.org/10.1063/1.3264688
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