The intermolecular potential energy surface for CO2-Ar: Fitting to high-resolution spectroscopy of Van der Waals complexes and second virial coefficients

Journal of Chemical Physics

Volumn 105, Issue 20, 1996, Pages 9130-9140

  Hutson, Jeremy M ^a   Ernesti, Andreas ^a   Law, Mark M ^a,b   Roche, Christine F ^a   Wheatley, Richard J ^a,c  

^a DURHAM UNIVERSITY   (United Kingdom)

^b UNIVERSITY OF ABERDEEN   (United Kingdom)

^c UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001477674     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472747     Document Type: Article

References (70)

1. R. J. L. Roy and J. S. Carley, Adv. Chem. Phys. 42, 353 (1980).
2. R. J. Le Roy and J. M. Hutson, J. Chem. Phys. 86, 837 (1987).
3. C. Bissonnette, C. E. Chuaqui, K. G. Crowell, R. J. Le Roy, R. J. Wheatley, and W. J. Meath, J. Chem. Phys. 105, 2639 (1996).
4. S. L. Holmgren, M. Waldman, and W. Klemperer, J. Chem. Phys. 69, 1661 (1918).
5. J. M. Hutson and B. J. Howard, Mol. Phys. 45, 769 (1982).
6. J. M. Hutson, J. Chem. Phys. 89, 4550 (1988).
7. J. M. Hutson, J. Phys. Chem. 96, 4237 (1992).
8. J. M. Hutson and B. J. Howard, Mol. Phys. 45, 791 (1982).
9. J. M. Hutson, J. Chem. Phys. 96, 6752 (1992).
10. R. J. Le Roy, G. C. Corey, and J. M. Hutson, Faraday Discuss. Chem. Soc. 73, 339 (1982).
11. J. M. Hutson and R. J. Le Roy, J. Chem. Phys. 78, 4040 (1983).
12. J. M. Hutson, C. J. Ashton, and R. J. Le Roy, J. Phys. Chem. 87, 2713 (1983).
13. J. M. Hutson, J. Chem. Phys. 81, 2357 (1984).
14. S. E. Choi and J. C. Light, J. Chem. Phys. 92, 2129 (1990).
15. C. M. Lovejoy, J. M. Hutson, and D. J. Nesbitt, J. Chem. Phys. 97, 8009 (1992).
16. H.-C. Chang, F.-M. Tao, W. Klemperer, C. Healey, and J. M. Hutson, J. Chem. Phys. 99, 9337 (1993).
17. J. M. Hutson and F. R. McCourt, J. Chem. Phys. 80, 1135 (1984).
18. S. Green, J. Chem. Phys. 93, 1496 (1990).
19. L. J. Rawluk, M. Keil, M. H. Alexander, H. R. Mayne, and J. J. C. Barrett, Chem. Phys. Lett. 202, 291 (1993).
20. S. Green and J. M. Hutson, J. Chem. Phys. 100, 891 (1994).
21. C. F. Roche, J. M. Hutson, and A. S. Dickinson, J. Quant. Spectrosc. Rad. Transf. 53, 153 (1995).
22. R. C. Cohen and R. J. Saykally, J. Phys. Chem. 94, 7991 (1990).
23. R. C. Cohen and R. J. Saykally, J. Chem. Phys. 98, 6007 (1993).
24. C. A. Schmuttenmaer, R. C. Cohen, and R. J. Saykally, J. Chem. Phys. 101, 146 (1994).
25. A. E. Barton and B. J. Howard, Faraday Discuss. Chem. Soc. 73, 45 (1982).
26. M. Quack and M. Suhm, J. Chem. Phys. 95, 28 (1991).
27. M. Quack and M. Suhm, Thcor. Chim. Acta 93, 61 (1996).
28. M. J. Elrod and R. J. Saykally, J. Chem. Phys. 103, 933 (1995).
29. C. F. Roche, A. Ernesti, J. M. Hutson, and A. S. Dickinson, J. Chem. Phys. 104, 2156 (1996).
30. G. A. Parker, R. L. Snow, and R. T Pack, J. Chem. Phys. 64, 1668 (1976).
31. R. K. Preston and R. T Pack, J. Chem. Phys. 66, 2480 (1977).
32. J. M. Steed, T. A. Dixon, and W. Klemperer, J. Chem. Phys. 70, 4095 (1979).
33. G. T. Fraser, A. S. Pine, and R. D. Suenram, J. Chem. Phys. 88, 6157 (1988).
34. R. W. Randall, M. A. Walsh, and B. J. Howard, Faraday Discuss. Chem. Soc. 85, 13 (1988).
35. S. W. Sharpe, D. Reifschneider, C. Willig, and R. A. Beaudet, J. Chem. Phys. 94, 233 (1991).
36. E. J. Bohac, M. D. Marshall, and R. E. Miller, J. Chem. Phys. 97, 4890 (1992).
37. A. M. Hough and B. J. Howard, J. Chem. Soc. Faraday Trans. 83, 191 (1987).
38. R. J. Wheatley and S. L. Price, Mol. Phys. 71, 1371 (1990).
39. R. D. Amos, I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, N. Koga, K. E. Laidig, P. E. Maslen, C. W. Murray, J. E. Rice, J. Sanz, E. D. Simandiras, A. J. Stone, and M.-D. Su, CADPAC: The Cambridge Analytical Derivatives Package, Issue 5, 1992.
40. G. Chałasiński, D. J. Funk, J. Simons, and W. H. Breckenridge, J. Chem. Phys. 87, 3569 (1987).
41. R. J. Wheatley, GMUL computer program, version 2.1, 1995.
42. R. J. Wheatley and J. B. O. Mitchell, J. Comput. Phys. 15, 1187 (1994).
43. C. Douketis, G. Scoles, S. Marchetti, M. Zen, and A. J. Thakkar, J. Chem. Phys. 76, 3057 (1982).
44. B. L. Jhanwar and W. J. Meath, Chem. Phys. 67, 185 (1982).
45. A. Kumar and W. J. Meath, Mol. Phys. 54, 823 (1985).
46. G. Maroulis and A. J. Thakkar, J. Chem. Phys. 93, 4164 (1990).
47. A. J. Thakkar and V. H. Smith, J. Phys. B 7, 1321 (1974).
48. K.-C. Ng, W. J. Meath, and A. R. Allnat, Chem. Phys. 32, 175 (1978).
49. W. J. Meath and M. Koulis, J. Mol. Struct. 226, 1 (1991).
50. R. R. Fuchs, F. R. W. McCourt, A. J. Thakkar, and F. Grein, J. Phys. Chem. 88, 2036 (1984).
51. R. J. Wheatley and W. J. Meath, Mol. Phys. 80, 25 (1993).
52. J. M. Hutson, Adv. Mol. Vibrat. Coll. Dyn. 1A, l (1991).
53. J. M. Hutson, BOUND computer program, version 5, distributed by Collaborative Computational Project No. 6 of the UK Science and Engineering Research Council, 1993.
54. J. M. Hutson, Comput. Phys. Commun. 84, 1 (1994).
55. B. R. Johnson, J. Chem. Phys. 69, 4678 (1978).
56. T. L. Cottrell, R. A. Hamilton, and R. P. Taubinger, Trans. Farad. Soc. 52, 1530 (1956).
57. R. N. Lichtenthaler and K. Schafer, Ber. Bunsenges. Phys. Chem. 73, 1525 (1969).
58. H. Sutter and R. H. Cole, J. Chem. Phys. 52, 140 (1970).
59. M. L. Martin, R. D. Trengove, K. R. Harris, and P. J. Dunlop, Aust. J. Chem. 35, 1525 (1982).
60. J. H. Dymond and E. B. Smith, The Virial Coefficients of Pure Gas Mixtures (Oxford University Press, Oxford, 1986).
61. B. Schramm and R. Gehrmann, reported in Ref. 60 (unpublished).
62. B. Schramm and Schmiedel, reported in Ref. 60 (unpublished).
63. R. T Pack, J. Chem. Phys. 78, 7217 (1983). The formulae given for the quantum correction in this paper are correct, but there was an error in the program used which caused an underestimate of the angular part of the quantum correction. This has been fixed in the present work. However, the corrections are still small.
64. C. Dreyfus, L. Bereby, and E. Dayan, Mol. Phys. 79, 476 (1981).
65. L. Bereby and E. Dayan, Chem. Phys. Lett. 48, 581 (1983).
66. R. G. Gordon, J. Chem. Phys. 41, 1819 (1964).
67. C. F. Roche, A. S. Dickinson, A. Ernesti, and J. M. Hutson (unpublished).
68. H. J. Loesch, Chem. Phys. 13, 431 (1976).
69. M. M. Law and J. M. Hutson, I-NoLLS computer program, 1996.
70. P. J. Marshall, M. M. Szczȩśniak, J. Sadlej, G. Chałasiński, M. A. ter Horst, and C. J. Jamieson, J. Chem. Phys. 104, 6569 (1996).