Journal of Chemical Physics
The Journal of Chemical Physics
   
 
 
 
Previous Article
Accuracy of the energy partitioning data obtained by classical trajectory calculations on potential energy surfaces constructed by interpolation: H2CO-->H2   +   CO as an example
Capability of the classical trajectory calculation on a potential energy surface (PES) constructed by interpolation in reproducing experimental energy partitioning data has been tested. The title reac...
Next Article
Photo-induced reactions in mass-selected complexes Mg + (FCH3)n, n = 1–4
Photo-induced reactions in the metal cation–molecule complexes Mg + (CH3F)n have been studied as a function of the number of solvent molecules. While a photoreaction of the singly solvated comple...

Combination band spectroscopy of H<sub>3</sub><sup>+</sup>

J. Chem. Phys. 113, 3104 (2000); doi:10.1063/1.1287142

Issue Date: 22 August 2000

You are not logged in to this journal. Log in

Benjamin J. McCall and Takeshi Oka
Department of Chemistry, Department of Astronomy & Astrophysics, and the Enrico Fermi Institute, University of Chicago, Chicago, Illinois 60637
Thirty rovibrational transitions of H<sub>3</sub><sup>+</sup> have been observed near 1.25 µm using a tunable diode laser and a positive column discharge. In addition to the H<sub>3</sub><sup>+</sup> transitions, over 200 transitions between Rydberg states of H2 were observed—these could be discriminated against by using a discharge dominated by He, which apparently collisionally quenches the Rydberg states of H2 without affecting H<sub>3</sub><sup>+</sup>. Twenty-eight of the H<sub>3</sub><sup>+</sup> transitions have been assigned to the nu1 + 2nu<sub>2</sub><sup>2</sup><--0 band, and provide experimentally determined energy levels for most of the levels up to J = 4 in the nu1 + 2nu<sub>2</sub><sup>2</sup> state. The remaining two H<sub>3</sub><sup>+</sup> transitions have been assigned to the 2nu1 + nu2<--0 band. These bands represent a crucial test of ab initio calculations, as they reach higher vibrational levels of H<sub>3</sub><sup>+</sup> than any yet observed. We have compared our experimental results with recent variational calculations by several groups. ©2000 American Institute of Physics.
History: Received 9 May 2000; accepted 25 May 2000
Permalink: http://link.aip.org/link/?JCPSA6/113/3104/1
BUY THIS ARTICLE   (US$28)
Download HTML Download Sectioned HTML Download PDF (86 kB) View Cart

Supplemental Material

KEYWORDS and PACS

Keywords
PACS
  • 33.20.Ea
    Molecular properties and interactions with photons Molecular spectra Infrared spectra
  • 31.15.Ar
    Electronic structure of atoms, molecules and their ions: theory Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Ab initio calculations
  • 33.15.Mt
    Molecular properties and interactions with photons Properties of molecules and molecular ions Rotation, vibration, and vibration–rotation constants
  • 33.20.Vq
    Molecular properties and interactions with photons Molecular spectra Vibration–rotation analysis
  • 31.50.+w
    Electronic structure of atoms, molecules and their ions: theory Excited states
  • YEAR: 2000

RELATED DATABASES


To view database links for this article,
you need to log in.
To view database links for this article,
you need to log in.

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (39)

For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. F.-S. Pan and T. Oka, Phys. Rev. A 36, 2297 (1987).
  2. T. Amano, Astrophys. J. 320, L121 (1988).
  3. C. M. Lindsay, E. T. White, and T. Oka, Chem. Phys. Lett. (submitted).
  4. R. Jaquet, W. Cencek, W. Kutzelnigg, and J. Rychlewski, J. Chem. Phys. 108, 2837 (1998).
  5. O. L. Polyansky and J. Tennyson, J. Chem. Phys. 110, 5056 (1999).
  6. J. K. G. Watson, Chem. Phys. 190, 291 (1995).
  7. J. Connerney, Philos. Trans. R. Soc. London, Ser. A (in press).
  8. S. Miller et al., Philos. Trans. R. Soc. London, Ser. A (in press).
  9. T. R. Geballe and T. Oka, Nature (London) 384, 334 (1996).
  10. B. J. McCall, T. R. Geballe, K. H. Hinkle, and T. Oka, Astrophys. J. 522, 338 (1999).
  11. B. J. McCall, K. H. Hinkle, T. R. Geballe, and T. Oka, Faraday Discuss. 109, 267 (1998).
  12. B. J. McCall, T. R. Geballe, K. H. Hinkle, and T. Oka, Science 279, 1910 (1998).
  13. T. R. Geballe, B. J. McCall, K. H. Hinkle, and T. Oka, Astrophys. J. 510, 251 (1999).
  14. T. Oka, Phys. Rev. Lett. 45, 531 (1980).
  15. B. J. McCall, Philos. Trans. R. Soc. London, Ser. A (in press).
  16. J. K. G. Watson, J. Mol. Spectrosc. 103, 350 (1984).
  17. J. T. Hougen, J. Chem. Phys. 37, 1433 (1962).
  18. S. Miller and J. Tennyson, J. Mol. Spectrosc. 128, 530 (1988).
  19. C. S. Gudeman, M. H. Begemann, J. Pfaff, and R. J. Saykally, Phys. Rev. Lett. 50, 727 (1983).
  20. G. Guelachvilli (private communication).
  21. J. K. G. Watson (private communication).
  22. See EPAPS Document No. E-JCPSA6-113-021032 for a file containing the frequencies and intensities of the observed Rydberg transitions. This document may be retrieved via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information. The table is also available on the author's web site (at http://h3plus.uchicago.edu/data/rydbergs.html). [EPAPS]
  23. D. Uy, Ph.D. thesis, University of Chicago, 1998.
  24. D. Uy, C. M. Gabrys, T. Oka, B. J. Cotterell, R. J. Strickland, and Ch. Jungen (unpublished).
  25. B. M. Dinelli, S. Miller, and J. Tennyson, J. Mol. Spectrosc. 163, 71 (1994).
  26. B. M. Dinelli, S. Miller, and J. Tennyson, J. Mol. Spectrosc. 153, 718 (1992).
  27. L.-W. Xu, C. Gabrys, and T. Oka, J. Chem. Phys. 93, 6210 (1990).
  28. L. Wolniewicz and J. Hinze, J. Chem. Phys. 101, 9817 (1994).
  29. W. Meyer, P. Botschwina, and P. Burton, J. Chem. Phys. 84, 891 (1986).
  30. W. A. Majewski, A. R. W. McKellar, D. Sadovskií, and J. K. G. Watson, Can. J. Phys. 72, 1016 (1994).
  31. L. Neale, S. Miller, and J. Tennyson, Astrophys. J. 464, 516 (1996).
  32. B. M. Dinelli, O. L. Polyansky, and J. Tennyson, J. Chem. Phys. 103, 10433 (1995).
  33. B. M. Dinelli, L. Neale, O. L. Polyansky, and J. Tennyson, J. Mol. Spectrosc. 181, 142 (1997).
  34. R. Röhse, W. Kutzelnigg, R. Jaquet, and W. Klopper, J. Chem. Phys. 101, 2231 (1994).
  35. B. M. Dinelli, C. B. Le Sueur, J. Tennyson, and R. D. Amos, Chem. Phys. Lett. 232, 295 (1995).
  36. W. Cencek, J. Rychlewski, R. Jaquet, and W. Kutzelnigg, J. Chem. Phys. 108, 2831 (1998).
  37. R. Jaquet (private communication).
  38. R. Jaquet, Chem. Phys. Lett. 302, 27 (1999).
  39. L.-W. Xu, M. Rösslein, C. M. Gabrys, and T. Oka, J. Mol. Spectrosc. 153, 726 (1992).

CITING ARTICLES

For access to citing articles, you need to log in.
For access to citing articles, you need to Log in.