Microwave and ab initio studies of rare gas-methane van der Waals complexes

Journal of Chemical Physics

Volumn 120, Issue 19, 2004, Pages 9047-9059

  Liu, Yaqian ^a,b   Jäger, Wolfgang ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; ENERGY GAP; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GROUND STATE; ISOMERS; ISOTOPES; KRYPTON; MICROWAVES; MOLECULAR BEAMS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; QUANTUM THEORY; VAN DER WAALS FORCES;

FOURIER TRANSFORM MICROWAVE SPECTROMETERS; MOLECULAR SYMMETRY; VAN DER WAALS COMPLEXES; WAVE FUNCTIONS;

METHANE;

EID: 2942525497     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1691743     Document Type: Article

References (65)

1. R. P. Wayne, Chemistry of Atmosphere (Clarendon, Oxford, 1985).
2. A. C. Legon and A. L. Wallwork, J. Chem. Soc., Chem. Commun. 1989, 588.
3. A. C. Legon and A. L. Wallwork, J. Chem. Soc., Faraday Trans. 88, 1 (1992).
4. A. C. Legon, B. P. Roberts, and A. L. Wallwork, Chem. Phys. Lett. 173, 107 (1990).
5. M. J. Atkins, A. C. Legon, and A. L. Wallwork, Chem. Phys. Lett. 192, 368 (1992).
6. Y. Ohshima and Y. Endo, J. Chem. Phys. 93, 6256 (1990).
7. Y. Kawashima, R. D. Suenram, G. T. Fraser, F. J. Lovas, and E. Hirota, J. Mol. Spectrosc. 197, 232 (1999).
8. A. R. Hight Walker, G. T. Fräser, R. D. Suenram, and F. J. Lovas, J. Chem. Phys. 113, 2139 (2000).
9. L. Dore, R. C. Cohen, C. A. Schmuttenmaer, K. L. Busarow, M. J. Elrod, J. G. Loeser, and R. J. Saykally, J. Chem. Phys. 100, 863 (1994).
10. R. D. Suenram, G. T. Fraser, F. J. Lovas, and Y. Kawashima, J. Chem. Phys. 101, 7230 (1994).
11. A. R. W. McKellar, D. A. Roth, I. Pak, and G. Winnewisser, J. Chem. Phys. 110, 9989 (1999).
12. C. Xia, K. A. Walker, and A. R. W. McKellar, J. Chem. Phys. 114, 4824 (2001).
13. A. R. W. McKellar, Faraday Discuss. Chem. Soc. 97, 69 (1994).
14. D. J. Nesbitt, Faraday Discuss. Chem. Soc. 97, 175 (1994).
15. R. E. Miller, Faraday Discuss. Chem. Soc. 97, 177 (1994).
16. T. G. Heijmen, T. Korona, R. Moszynski, P. E. S. Wormer, and A. van der Avoird, J. Chem. Phys. 107, 902 (1997).
17. T. G. A. Heijmen, P. E. S. Wormer, A. van der Avoird, R. E. Miller, and R. Moszynski, J. Chem. Phys. 110, 5639 (1999).
18. R. E. Miller, T. G. A. Heijmen, P. E. S. Wormer, A. van der Avoird, and R. Moszynski, J. Chem. Phys. 110, 5651 (1999).
19. I. Pak, D. A. Roth, M. Hepp, G. Winnewisser, D. Scouteris, B. J. Howard, and K. M. T. Yamada, Z. Naturforsch., A: Phys. Sci. 53, 725 (1998).
20. I. Pak, M. Hepp, D. A. Roth, G. Winnewisser, and K. M. T. Yamada, Z. Naturforsch., A: Phys. Sci. 51, 997 (1996).
21. I. Pak, M. Hepp, D. A. Roth, and G. Winnewisser, Rev. Sci. Instrum. 68, 1668 (1997).
22. M. D. Brooks, D. J. Hughes, and B. J. Howard, J. Chem. Phys. 100, 7051 (1994).
23. M. M. Szczȩśniak, G. Chałasiński, and S. M. Cybulski, J. Chem. Phys. 96, 463 (1992).
24. W. B. Chaoman, A. Schiffman, J. M. Hutson, and D. J. Nesbitt, J. Chem. Phys. 105, 3497 (1996).
25. T. J. Balle and W. H. Flygare, Rev. Sci. Instrum. 52, 33 (1981).
26. Y. Xu and W. Jäger, J. Chem. Phys. 106, 7968 (1997).
27. MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from R. D. Amos, A. Bernhardsson, A. Berning et al.
28. P. Jensen, Introduction to Computational Chemistry (Wiley, New York, 1999).
29. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
30. J. Paldus and X. Li, Adv. Chem. Phys. 110, 1 (1999).
31. C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992), and references therein. The program to compute the perturbative triples corrections has been developed by M. J. O. Deegan and P. J. Knowles (1992).
32. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
33. R. A. Kendall, T. H. Dunning, Jr., R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
34. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 98, 1358 (1993).
35. A. K. Wilson, D. E. Woon, K. A. Peterson, and T. H. Dunning, Jr., J. Chem. Phys. 110, 7667 (1999).
36. F. Tao and Y. Pan, J. Chem. Phys. 97, 4989 (1992).
37. R. Burcl, G. Chałsiński, R. Bukowski, and M. M. Szczȩśniak, J. Chem. Phys. 103, 1498 (1995).
38. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
39. D. L. Gray and A. G. Robbitte, Mol. Phys. 37, 1901 (1979).
40. G. Maroulis, J. Chem. Phys. 108, 5432 (1998).
41. G. Maroulis, J. Phys. Chem. A 104, 4772 (2000).
42. G. Maroulis and A. Haskopoulos, Chem. Phys. Lett. 349, 335 (2001).
43. H.-J. Werner and P. J. Knowles, MOLPRO User's Manual Version 2000.1 (University of Birmingham, 1999), p. 162.
44. G. Tarrago, M. Dang-Nhu, G. Poussigue, G. Guelachvili, and C. Amiot, J. Mol. Spectrosc. 57, 246 (1975).
45. J. T. Hougen, International Review of Science, Physical Chemistry, Ser. 2, Vol. 3, Spectroscopy, edited by D. A. Ramsay (Butterworths, London, 1976).
46. P. R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, 2nd ed. (NRC Research Press, Ottawa, 1998).
47. V. N. Markov, Y. Xu, and W. Jäger, Rev. Sci. Instrum. 106, 4061 (1998).
48. I. Pak and R. Suenram, private communication.
49. See EPAPS Document No. E-JCPSA6-120-018417 for tables with transition frequencies, quantum number assignments, and spectroscopic constants. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ft-p.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
50. W. Gordy and R. L. Cook, Microwave Molecular Spectra, 3rd ed. (Wiley, London, 1984).
51. J. van Wijingaarden and W. Jäger, Mol. Phys. 98, 1575 (2000).
52. J. van Wijingaarden and W. Jäger, Mol. Phys. 99, 1215 (2001).
53. J. van Wijingaarden and W. Jäger, J. Chem. Phys. 114, 3968 (2001).
54. E. J. Campbell, L. W. Buxton, M. R. Keenan, and W. H. Flygare, Phys. Rev. A 24, 812 (1981).
55. L. W. Buxton, E. J. Campbell, and W. H. Flygare, Chem. Phys. 54, 173 (1981).
56. E. J. Campbell, L. W. Buxton, and A. C. Legon, J. Chem. Phys. 78, 3483 (1983).
57. Y. Xu, W. Jäger, J. Djauhari, and M. C. L. Gerry, J. Chem. Phys. 103, 2827 (1995).
58. C. G. Gray and K. E. Gubbins, Theory of Molecular Fluids, Vol. 1: Fundamentals (Clarendon, Oxford, 1984).
59. G. Birnbaum and E. G. Cohen, J. Chem. Phys. 62, 3807 (1975).
60. W. L. Faust and L. Y. Chow Chiu, Phys. Rev. 129, 1214 (1963).
61. A. L. Kaledin and M. C. Heaven, Chem. Phys. Lett. 347, 199 (2001).
62. G. T. Fraser, F. J. Lovas, R. D. Suenram, and K. Matsumura, J. Mol. Spectrosc. 144, 97 (1990).
63. W. Jäger, Y. Xu, N. Heineking, and M. C. L. Gerry, J. Chem. Phys. 99, 7510 (1993).
64. W. Jäger and M. C. L. Gerry, Chem. Phys. Lett. 196, 274 (1992).
65. K. R. Leopold, G. T. Fraser, F. J. Lin, D. D. Nelson, Jr., and W. Klemperer, J. Chem. Phys. 81, 4922 (1984).