`Journal of Atomic, Molecular, and Optical PhysicsVolume 2012 (2012), Article ID 916510, 11 pageshttp://dx.doi.org/10.1155/2012/916510`
Research Article

## Electronic-Rotational Coupling in Cl–para-H2 Van der Waals Dimers

Department of Chemistry, University of Tennessee, Knoxville, TN 37996-1600, USA

Received 31 July 2012; Accepted 12 November 2012

Copyright © 2012 Robert J. Hinde. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

1. P. L. Raston and D. T. Anderson, “The spin-orbit transition of atomic chlorine in solid H2, HD, and D2,” Journal of Chemical Physics, vol. 126, no. 2, Article ID 021106, 4 pages, 2007.
2. J. Klos, M. M. Szczesniak, and G. Chalasinski, “Paradigm pre-reactive van der Waals complexes: X–HX and X–H2 (X = F, Cl, Br),” International Reviews in Physical Chemistry, vol. 23, no. 4, pp. 541–571, 2004.
3. X. Wang, W. Dong, C. Xiao et al., “The extent of non-Born-Oppenheimer coupling in the reaction of Cl(2P) with para-H2,” Science, vol. 322, no. 5901, pp. 573–576, 2008.
4. D. Skouteris, D. E. Manolopoulos, W. Bian, H. J. Werner, L. H. Lai, and K. Liu, “Van der Waals interactions in the Cl + HD reaction,” Science, vol. 286, no. 5445, pp. 1713–1716, 1999.
5. J. R. Krumrine, S. Jang, M. H. Alexander, and G. A. Voth, “Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen,” Journal of Chemical Physics, vol. 113, no. 20, pp. 9079–9089, 2000.
6. Q. Wang, M. H. Alexander, and J. R. Krumrine, “An ab initio based model for the simulation of multiple 2P atoms embedded in a cluster of spherical ligands, with application to Al in solid para-hydrogen,” Journal of Chemical Physics, vol. 117, no. 11, pp. 5311–5318, 2002.
7. J. Williams and M. H. Alexander, “Potential energy surfaces for and energetics of the weakly-bound Al–H2 and B–H2 complexes,” Journal of Chemical Physics, vol. 112, no. 13, pp. 5722–5730, 2000.
8. T. Zeng, H. Li, R. J. Le Roy, and P. N. Roy, “‘Adiabatic hindered rotor’ treatment of the para-hydrogen-water complex,” Journal of Chemical Physics, vol. 135, no. 9, Article ID 094304, 15 pages, 2011.
9. G. Capecchi and H. J. Werner, “Ab initio calculations of coupled potential energy surfaces for the Cl(2${\text{P}}_{3/2}$,2${\text{P}}_{1/2}$) + H2 reaction,” Physical Chemistry Chemical Physics, vol. 6, no. 21, pp. 4975–4983, 2004.
10. M. Dagenais, J. W. C. Johns, and A. R. W. McKellar, “Precision measurement measurement of the ground state (2${\text{P}}_{1/2}$2${\text{P}}_{3/2}$) splitting of atomic chlorine by CO2 laser Zeeman spectroscopy,” Canadian Journal of Physics, vol. 54, no. 14, pp. 1438–1441, 1976.
11. J. Kłos, G. Chałasiński, and M. M. Szczȩśniak, “Modeling of adiabatic and diabatic potential energy surfaces of Cl(2P)H2(1${\sum }_{g}^{+}$) prereactive complex from ab initio calculations,” Journal of Chemical Physics, vol. 117, no. 10, pp. 4709–4719, 2002.
12. Y. Kurosaki and T. Takayanagi, “Global ab initio potential energy surfaces for the lowest three doublet states (12${A}^{\prime }$, 22${A}^{\prime }$, and 12${A}^{″}$) of the BrH2 system,” Journal of Chemical Physics, vol. 119, no. 15, pp. 7838–7856, 2003.
13. R. H. Hardin and N. J. A. Sloane, “McLaren's improved snub cube and other new spherical designs in three dimensions,” Discrete and Computational Geometry, vol. 15, no. 4, pp. 429–441, 1996.
14. H. A. Kramers, “Théorie générale de la rotation paramagnétique dans les cristaux,” Proceedings of the Royal Academy of Sciences, vol. 33, no. 9, pp. 959–972, 1930.