Rotational spectroscopic and ab initio studies of the Xe-H2O van der Waals Dimer

Journal of Physical Chemistry A

Volumn 110, Issue 24, 2006, Pages 7560-7567

  Wen, Qing ^a   Jäger, Wolfgang ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; FUNCTIONS; PERTURBATION TECHNIQUES; POLARIZATION; POTENTIAL ENERGY; ROTATION; SPECTROSCOPIC ANALYSIS; VAN DER WAALS FORCES;

HYPERFINE STRUCTURES; POTENTIAL ENERGY SURFACES; ROTATIONAL SPECTROSCOPY; ROTATIONAL TRANSITIONS;

DIMERS;

POLYMER; WATER; XENON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DIMERIZATION; ENERGY TRANSFER; INFRARED SPECTROSCOPY;

COMPUTER SIMULATION; DIMERIZATION; ENERGY TRANSFER; MOLECULAR STRUCTURE; POLYMERS; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; WATER; XENON;

EID: 33745804512     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0619890     Document Type: Article

References (56)

1. Navon, G.; Song, Y.-Q.; Room, T.; Appell, S.; Taylor, R. E.; Pines, A. Science 1996, 271, 1848.
2. Goodson, B. M. J. Magn. Reson. 2002, 155, 157.
3. Song, Y.-Q. Concept. Magn. Res. 2000, 12, 6.
4. Bonardet, J.-L.; Fraissard, J.; Gédéon, A.; Springuel-Huet, M.-A. Catal. Rev.-Sci. Eng. 1999, 41, 115.
5. Sears, D. N.; Jameson, C. J. J. Chem. Phys. 2004, 121, 2151.
6. Wen, Q.; Jäger, W. J. Chem. Phys. 2005, 122, 214310.
7. Wen, Q.; Jäger, W. J. Chem. Phys. 2006, 124, 014301.
8. Jäger, W.; Xu, Y.; Gerry, M. C. L. J. Chem. Phys. 1993, 99, 919.
9. Keenan, M. R.; Buxton, L. W.; Campbell, E. J.; Balle, T. J.; Flygare, W. H. J. Chem. Phys. 1980, 73, 3523.
10. Campbell, E. J.; Buxton, L. W.; Keenan, M. R.; Flygare, W. H. Phys. Rev. A 1981, 24, 812.
11. Baiocchi, F. A.; Dixon, T. A.; Joyner, C. H.; Klemperer, W. J. Chem. Phys. 1981, 75, 2041.
12. Iida, M.; Ohshima, Y.; Endo, Y. J. Phys. Chem. 1993, 97, 357.
13. Walker, K. A.; Ogata, T.; Jäger, W.; Gerry, M. C. L.; Ozier, I. J. Chem. Phys. 1997, 106, 7519.
14. Brupbacher, Th.; Makarewicz, J.; Bauder, A. J. Chem. Phys. 1994, 101, 9736.
15. Hutson, J. J. Chem. Phys. 1990, 92, 157.
16. Cohen, R. C.; Saykally, R. J. J. Phys. Chem. 1990, 94, 7991.
17. Cohen, R. C.; Saykally, R. J. J. Chem. Phys. 1993, 98, 6007.
18. Chalasinski, G.; Szczesniak, M. M.; Scheiner, S. J. Chem. Phys. 1991, 94, 2807.
19. Bulski, M.; Wormer, P. E. S.; van der Avoird, A. J. Chem. Phys. 1991, 94, 8096.
20. Tao, F.-M.; Klemperer, W. J. Chem. Phys. 1994, 101, 1129.
21. Chalasinski, G.; Szczesniak, M. M.; Scheiner, S. J. Chem. Phys. 1992, 97, 8181.
22. Fraser, G. T.; Lovas, F. J.; Suenram, R. D.; Matsumura, K. J. Mol. Spectrosc. 1990, 144, 97.
23. Germann, T. C.; Gutowsky, H. S. J. Chem. Phys. 1993, 98, 5235.
24. Cohen, R. C.; Busarow, K. L.; Laughlin, K. B.; Blake, G. A.; Havenith, M.; Lee, Y. T.; Saykally, R. J. J. Chem. Phys. 1988, 89, 4494.
25. Cohen, R. C.; Busarow, K. L.; Lee, Y. T.; Saykally, R. J. J. Chem. Phys. 1990, 92, 169.
26. Cohen, R. C.; Saykally, R. J. J. Chem. Phys. 1991, 95, 7891.
27. Suzuki, S.; Bumgarner, R. E.; Stockman, P. A.; Green, P. G.; Blake, G. A. J. Chem. Phys. 1991, 94, 824.
28. Zwart, E.; Meerts, W. L. Chem. Phys. 1991, 151, 407.
29. Weida, M. J.; Nesbitt, D. J. J. Chem. Phys. 1997, 106, 3078.
30. Lascola, R.; Nesbitt, D. J. J. Chem. Phys. 1991, 95, 7917.
31. Nesbitt, D. J.; Lascola, R. J. Chem. Phys. 1992, 97, 8096.
32. van Wijngaarden, J.; Jäger, W. Mol. Phys. 2000, 98, 1575.
33. MOLPRO, a package of ab initio programs designed by Werner, H.-J. and Knowles, P. J. version 2002.6, with contributions by J. Almlof, R. D. Amos, A. Berning, et al.
34. Knowles, P. J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1993, 99, 5219.
35. Deegan, M. J. O.; Knowles, P. J. Chem. Phys. Lett. 1994, 227, 321.
36. Peterson, K. A.; Figgen, D.; Goll, E.; Stol, H.; Dolg, M. J. Chem. Phys. 2003, 119, 11113.
37. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
38. Tao, F.-M.; Pan, Y.-K. Chem. Phys. Lett. 1992, 194, 162.
39. Cybulski, S. M.; Toczylowski, R. R. J. Chem. Phys. 1999, 111, 10520.
40. Boys, S. F.; Bernadi, F. Mol. Phys. 1970, 19, 553.
41. Liu, B.; Mclean, A. D. J. Chem. Phys. 1973, 59, 4557.
42. Lide, D. R. CRC Handbook of Chemistry and Physics, 84th ed.; CRC: Boca Raton, FL, 2003.
43. Balle, T. J.; Flygare, W. H. Rev. Sci. Instrum. 1981, 52, 33.
44. Xu, Y.; Jäger, W. J. Chem. Phys. 1997, 106, 7968.
45. Gutowsky, H. S.; Emilsson, T.; Arunan, E. J. Chem. Phys. 1997, 106, 5309.
46. Pickett, H. M. J. Mol. Spectrosc. 1991, 148, 371.
47. Gordy, W.; Cook, R. L. Microwave Molecular Spectra, 3rd ed.; Wiley: London, 1984.
48. Kraitchman, J. Am. J. Phys. 1953, 21, 17.
49. LeRoy, R. J. "LEVEL 7.5, A Computer Program for Solving the Radial Schrödinger Equation for Bound and Quasibound Levels," University of Waterloo, Chemical Physics Research Report No. CP-655, 2002.
50. Dyke, T. R.; Muenter, J. S. J. Chem. Phys. 1973, 59, 3125.
51. Verhoeven, J.; Dymanus, A. J. Chem. Phys. 1970, 52, 3222.
52. Faust, W. L.; McDermott, M. N. Phys. Rev. 1961, 123, 198.
53. De Lucia, F. C.; Helminger, P. J. Mol. Spectrosc. 1975, 56, 138.
54. Yaron, D.; Peterson, K. I.; Zolandz, D.; Klemperer, W.; Lovas, F. J.; Suenram, R. D. J. Chem. Phys. 1990, 92, 7095.
55. Liu, Y.; Jäger, W. Mol. Phys. 2002, 100, 611.
56. Fry, H. A.; Kukolich, S. G. J. Chem. Phys. 1982, 76, 4387.