Abstract
The mobility of N+ ions in ground-state helium gas at very low temperature is examined with explicit inclusion of spin–orbit coupling effects. The ionic kinetics is treated theoretically with the three-temperature model. The N+–He interaction potentials, including spin–orbit coupling, are determined using high-level ab initio calculations. Then, the classical and quantal transport cross sections, both needed in the computation of the mobility coefficients, are calculated in terms of the collisional energy of the N+–He system. The numerical results, at temperature 4.3 K, show the spin–orbit interactions have negligible effect on the mobility coefficients.
Graphical abstract
Article PDF
Similar content being viewed by others
References
E.A. sMason, E.W. McDaniel, Transport Properties of Ions in Gases (John-Wiley, New York, 1988)
S.A. Haider, M.A. Abdu, I.S. Batista, J.H. Sobral, X. Luan, E. Kallio, W.C. Maguire, M.I. Verigin, V. Singh, J. Geophys. Res. 114, A03311 (2009)
L.A. Viehland, T. Skaist, C. Adhikari, W.F. Siems, Int. J. Ion Mobility Spectrom. 20, 1 (2016)
L.A. Viehland, Chem. Phys. 179, 71 (1994)
L. Aïssaoui, M. Bouledroua, K. Alioua, Mol. Phys. 113, 3740 (2015)
W.D. Tuttle, R.L. Thorington, L.A. Viehland, T.G. Wright, Mol. Phys. 113, 3767 (2015)
S. Matoba, H. Tanuma, K. Ohtsuki, J. Phys. B 41, 145205 (2008)
J. Sanderson, H. Tanuma, N. Kobayashi, Y. Kaneko, J. Chem. Phys. 103, 7098 (1995)
A. Yousef, S. Shrestha, L.A. Viehland, E.P.F. Lee, B.R. Gray, V.L. Ayles, T.G. Wright, W.H. Breckenridge, J. Chem. Phys. 127, 154309 (2007)
P.J. Knowles, C. Hampel, H.-J. Werner, J. Chem. Phys. 99, 5219 (1993)
P.J. Knowles, C. Hampel, H.-J. Werner, J. Chem. Phys. 112, 3106 (2000)
T.H. Dunning Jr, J. Chem. Phys. 90, 1007 (1989)
D.E. Woon, T.H. Dunning Jr, J. Chem. Phys. 100, 2975 (1994)
A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, J. Olsen, Chem. Phys. Lett. 302, 437 (1999)
S.F. Boys, F. Bernardi, Mol. Phys. 100, 65 (1970)
H.-J. Werner, P.J. Knowles, J. Chem. Phys. 89, 5803 (1988)
A. Berning, M. Schweizer, H.-J. Werner, P. Knowles, P. Palmieri, Mol. Phys. 98, 1823 (2000)
H.-J. Werner, P.J. Knowles, G. Knizia, F.R. Manby, M. Schütz, Wiley Interdiscip. Rev. Comput. Mol. Sci. 2, 242 (2012)
P. Soldàn, J.M. Hutson, J. Chem. Phys. 117, 3109 (2002)
H. Pauly, in Atom-Molecule Collision Theory, edited by R.B. Bernstein (Plenum Press, New York, 1979)
R. Côté, A. Dalgarno, Phys. Rev. A 62, 012709 (2000)
F. Bouchelaghem, M. Bouledroua, Phys. Chem. Chem. Phys. 16, 1875 (2014)
G. Łach, B. Jeziorski, K. Szalewicz, Phys. Rev. Lett. 92, 233001 (2004)
R.J. Buenker, J.P. Gu (unpublished results).
J.-P. Gu, R.J. Buenker, G. Hirsch, J. Chem. Phys. 102, 7540 (1995)
G. Frenking, W. Koch, D. Cremer, J. Gauss, J.F. Liebman, J. Phys. Chem. 93, 3397 (1989)
N.F. Mott, H.S.W. Massey, The Theory of Atomic Collisions (Oxford University Press, Oxford, 1965)
A. Dalgarno, M.R.C. McDowell, A. Williams, Philos. Trans. R. Soc. London A 250, 411 (1958)
L.A. Viehland, Y. Chang, Comput. Phys. Commun. 181, 1687 (2010)
S.L. Lin, L.A. Viehland, E.A. Mason, Chem. Phys. 37, 411 (1979)
L.A. Viehland, S.L. Lin, Chem. Phys. 43, 135 (1979)
H.W. Ellis, R.I. Pay, E.W. McDaniel, L.A. Viehland, E.A. Mason, At. Data Nucl. Data Tables 17, 177 (1976)
D.W. Fahey, F.C. Fehsenfeld, D.L. Albritton, J. Chem. Phys. 74, 2080 (1981)
L.A. Viehland, E.A. Mason, At. Data Nucl. Data Tables 60, 35 (1995)
S.T. Grice, P.W. Harland, J.A. Harrison, R.G.A.R. Maclagan, R.W. Simpson, Int. J. Mass Spectrom. Ion Processes 107, 215 (1991)
M. McFarland, D.L. Albritton, F.C. Fehsefeld, E.E. Ferguson, A.L. Schmeltekopf, J. Chem. Phys. 59, 6610 (1973)
S. Lias, L. Aïssaoui, M. Bouledroua, K. Alioua, Mol. Phys. 118, e1657601 (2020)
H. Tanuma, S. Matoba (unpublished results)
Author information
Authors and Affiliations
Corresponding author
Additional information
Electronic Supplementary Information (ESI) available: All the data points derived from the ab initio potentials of the ground N+–He molecular states, without and with the spin–orbit (SO) effects.
Supplementary material in the form of one pdf file available from the Journal web page at https://doi.org/10.1140/epjd/e2020-10138-0.
Publisher's Note
The EPJ Publishers remain neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Electronic supplementary material
Suplementary material
Rights and permissions
Open Access This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
About this article
Cite this article
Aïssaoui, L., Knowles, P.J. & Bouledroua, M. The role of spin–orbit effects in the mobility of N+ ions moving in a helium gas at low temperature. Eur. Phys. J. D 74, 155 (2020). https://doi.org/10.1140/epjd/e2020-10138-0
Received:
Revised:
Published:
DOI: https://doi.org/10.1140/epjd/e2020-10138-0