Spectroscopy of Ar-SH and Ar-SD. II. Determination of the three-dimensional intermolecular potential-energy surface

Journal of Chemical Physics

Volumn 123, Issue 5, 2005, Pages

  Sumiyoshi, Yoshihiro ^a   Endo, Yasuki ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

HYPERFINE SPLITTINGS; INTERACTION ENERGY; ROTATION-VIBRATION TRANSITIONS;

GROUND STATE; LEAST SQUARES APPROXIMATIONS; MOLECULAR SPECTROSCOPY; MOLECULAR VIBRATIONS; MONOMERS; POTENTIAL ENERGY; SPECTROSCOPIC ANALYSIS;

ARGON;

EID: 23944518730     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1943968     Document Type: Article

References (43)

1. Y. Sumiyoshi, Y. Endo, and Y. Ohshima, J. Chem. Phys. 113, 10121 (2000).
2. Y. Sumiyoshi, Y. Endo, and Y. Ohshima, J. Mol. Spectrosc. 222, 22 (2003).
3. K. Suma, Y. Sumiyoshi, and Y. Endo, J. Chem. Phys. 120, 6935 (2004).
4. M.-C. Yang, C. C. Carter, and T. A. Miller, J. Chem. Phys. 110, 7305 (1999).
5. C. C. Carter, H.-S. Lee, A. B. McCoy, and T. A. Miller, J. Mol. Struct. 525, 1 (2000).
6. R. C. Cohen and R. J. Saykally, J. Chem. Phys. 98, 6007 (1993).
7. C. A. Schmuttenmaer, R. C. Cohen, and R. J. Saykally, J. Chem. Phys. 101, 146 (1994).
8. M. J. Elrod and R. J. Saykally, J. Chem. Phys. 103, 933 (1995).
9. R. S. Fellers, C. Leforestier, L. B. Braly, M. G. Brown, and R. J. Saykally, Science 28, 945 (1999).
10. L. B. Braly, J. D. Cruzan, K. Liu, R. S. Fellers, and R. J. Saykally, J. Chem. Phys. 112, 10293 (2000).
11. L. B. Braly, K. Liu, M. G. Brown, F. N. Keutsch, R. S. Fellers, and R. J. Saykally, J. Chem. Phys. 112, 10314 (2000).
12. N. Goldman, R. S. Fellers, M. G. Brown, L. B. Braly, C. J. Keoshian, C. Leforestierm, and R. J. Saykally, J. Chem. Phys. 116, 10148 (2002).
13. R. J. Le Roy and J. V. Kranendonk, J. Chem. Phys. 61, 4750 (1974).
14. H. Kreek and R. J. Le Roy, J. Chem. Phys. 63, 338 (1975).
15. H. Wei, R. J. Le Roy, R. Wheatley, and W. J. Meath, J. Chem. Phys. 122, 084321 (2005).
16. J. M. Hutson, J. Phys. Chem. 96, 4237 (1992).
17. J. M. Hutson, J. Chem. Phys. 96, 6752 (1992).
18. M. Xu, Z. Bačić, and J. M. Hutson, J. Chem. Phys. 117, 4787 (2002).
19. R. Valero, D. A. McCormack, and G.-J. Kroes, J. Chem. Phys. 120, 4263 (2004).
20. Y. Sumiyoshi, H. Katsunuma, K. Suma, and Y. Endo, J. Chem. Phys. 123, 054324 (2005), preceding paper.
21. Y. Endo, K. Kohguchi, and Y. Ohshima, Faraday Discuss. 97, 341 (1994).
22. W. H. Green, Jr. and M. I. Lester, J. Chem. Phys. 96, 2573 (1992).
23. M.-L. Dubernet, D. Flower, and J. M. Hutson, J. Chem. Phys. 94, 7602 (1991).
24. E. Klish, Th. Klaus, S. P. Belov, A. Dolgner, R. Schieder, and G. Winnewisser, Astrophys. J. 473, 1118 (1996).
25. G. C. Maitland and E. B. Smith, Chem. Phys. Lett. 22, 443 (1973).
26. R. A. Frosh and H. M. Foley, Phys. Rev. 88, 1337 (1952).
27. W.-K. Liu, J. E. Grabenstetter, R. J. Le Roy, and F. R. McCourt, J. Chem. Phys. 68, 5028 (1978).
28. H. Kreek and R. J. Le Roy, J. Chem. Phys. 63, 338 (1975).
29. F. Tao and Y. Pan, J. Chem. Phys. 97, 4989 (1992).
30. K. W. Chan, T. D. Power, J. Jai-nhuknan, and S. M. Cybulski, J. Chem. Phys. 110, 860 (1999).
31. S. M. Cybulski, R. R. Toczylowski, H.-S. Lee, and A. B. McCoy, J. Chem. Phys. 113, 9549 (2000).
32. H.-S. Lee, A. B. McCoy, R. R. Toczylowski, and S. M. Cybulski, J. Chem. Phys. 113, 5736 (2000).
33. A. D. Esposti and H.-J. Werner, J. Chem. Phys. 93, 3351 (1990).
34. H.-J. Werner, P. J. Knowles, J. Almlöf, MOLPRO2000.
35. See EPAPS Document No. E-JCPSA6-123-004529 for ASCII file containing the ab initio energies obtained in the present calculation. In the file, R, ANGLE, r, and E_COMP are distance between Ar and SH, the angle θ, SH bond length, and the potential energy, respectively. For the configuration with θ≠0°, E_COPM1 and E_COMP2 correspond to potential energies for the A′ and A″ surfaces, respectively. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html).
36. S. E. Choi and J. C. Light, J. Chem. Phys. 92, 2129 (1990).
37. P. P. Korambath, X. T. Wu, and E. F. Hayes, J. Chem. Phys. 100, 6116 (1996).
38. P. P. Korambath, X. T. Wu, E. F. Hayes, C. C. Carter, and T. A. Miller, J. Chem. Phys. 107, 3460 (1997).
39. X. T. Wu, P. P. Korambath, E. F. Hayes, and D. C. Sorensen, J. Comput. Phys. 138, 286 (1997).
40. ARPACK, http://www.caam.rice.edu/software/ARPACK
41. M.-L. Dubernet, P. A. Tuckey, and J. M. Hutson, Chem. Phys. Lett. 193, 355 (1992).
42. R. T. Bonn, M. D. Wheeler, and M. I. Lester, J. Chem. Phys. 112, 4942 (2000).
43. K. Sato, Y. Ohshima, and Y. Endo (unpublished).