The intermolecular potential of NH4+-Ar I. Calculations for the internal rotor structure of the ν3 band

Molecular Physics

Volumn 98, Issue 2, 2000, Pages 63-79

  Lakin, N M ^a   Dopfer, O ^a   Meuwly, M ^a,b   Howard, B J ^a,c  

^a UNIVERSITY OF BASEL   (Switzerland)

^b DURHAM UNIVERSITY   (United Kingdom)

^c UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; ARGON; BAND STRUCTURE; CRYSTAL SYMMETRY; ELECTRONIC STRUCTURE; GROUND STATE; HAMILTONIANS; LEAST SQUARES APPROXIMATIONS; MOLECULAR VIBRATIONS; PLASTIC DEFORMATION; POTENTIAL ENERGY; PROTONS;

INTERMOLECULAR POTENTIAL; ROTATIONAL CONSTANTS; TETRAHEDRAL STRUCTURE;

MOLECULAR PHYSICS;

EID: 0034688390     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/002689700162757     Document Type: Article

References (62)

1. Hutson, J. M., 1992, J. phys. Chem., 96, 4237.
2. Hutson, J. M., 1992, J. chem. Phys., 96, 6752.
3. Szalewicz, K., and Jeziorski, B., 1997, Molecular Interactions From van der Waals to Strongly Bound Complexes, edited by S. Scheiner (London: Wiley), p. 3.
4. Crofton, M. W., Price, J. M., and Lee, Y. T., 1994, Clusters of Atoms and Molecules II, edited by H. Haberland (Berlin: Springer), p. 44.
5. Lisy, J. M., 1993, Cluster Ions, edited by C.-Y. Ng, T. Baer and I. Powis (New York: Wiley), p. 217.
6. Bieske, E. J., and Maier, J. P., 1993, Chem. Rev., 93, 2603.
7. Bieske, E. J., 1995, J. chem. Soc. Faraday Trans., 91, 1.
8. Duncan, M. A., 1997, Ann. Rev. phys. Chem., 48, 69.
9. Olkhov, R. V., Nizkorodov, S. A., and Dopfer, O., 1997, J. chem. Phys., 107, 8229.
10. Nizkorodov, S. A., Meuwly, M., Maier, J. P., Dopfer, O., and Bieske, E. J., 1998, J. chem. Phys., 108, 8964.
11. Olkhov, R. V., Nizkorodov, S. A., and Dopfer, O., 1998, J. chem. Phys., 108, 10046.
12. Meuwly, M., and Hutson, J. M., 1998, J. chem. Phys., 110, 3418.
13. Meuwly, M., Maier, J. P., and Rosmus, P., 1998, J. chem. Phys., 109, 3850.
14. Subramanian, V., Venkatesh, K., Prabha, D. M., and Ramasami, T., 1997, Chem. Phys. Lett., 276, 9.
15. Robbe, J.-M., Bencheikh, M., and Flament, J.-P., 1993, Chem. Phys. Lett., 210, 170.
16. Schmelz, T., and Rosmus, P., 1994, Chem. Phys. Lett., 220, 117.
17. Schmelz, T., Reinsch, E. A., and Rosmus, P., 1995, J. phys. Chem., 99, 15580.
18. Meuwly, M., 1998, J. chem. Phys., 110, 4347.
19. Meuwly, M., and Bemish, R. J., 1997, J. chem. Phys., 106, 8672.
20. Escribano, R., and Bunker, P. R., 1988, Chem. Phys. Lett., 143, 439.
21. Bogey, M., Bolvin, H., Demuynck, C., and Destombes, J. L., 1987, Phys. Rev. Lett., 58, 988.
22. Bogey, M., Bolvin, H., Demuynck, C., Destombes, J. L., and van Eijck, B. P., 1998, J. chem. Phys., 88, 4120.
23. Simandiras, E. D., Gaw, J. F., and Handy, N. C., 1987, Chem. Phys. Lett., 141, 166.
24. Dopfer, P., Nizkorodov, S. A., Meuwly, M., Bieske, E. J., and Maier, J. P., 1996, Chem. Phys. Lett., 260, 545.
25. Meuwly, M., Nizkorodov, S. A., Bieske, E. J., Maier, J. P., and Dopfer, O., 1997, Chem. Phys. Lett., 270, 252.
26. van der Sanden, G. C. M., Reinsch, E. A., van der Avoird, A., Wormer, P. E. S., and Rosmus, P., 1995, J. chem. Phys., 103, 4012.
27. Bieske, E. J., Nizkorodov, S. A., Dopfer, O., Maier, J. P., Stickland, R. J., Cotterell, B. J., and Howard, B. J., 1996, Chem. Phys. Lett., 250, 266.
28. Meot-Ner, M., 1984, J. Am. chem. Soc., 106, 1257.
29. Dopfer, O., Olkhov, R. V., Roth, D., and Maier, J. P., 1998, Chem. Phys. Lett., 296, 585.
30. Dopfer, O., Nizkorodov, S. A., Meuwly, M., Bieske, E. J., and Maier, J. P., 1997, Int. J. Mass Spectrum. Ion Processes, 167-168, 637.
31. Read, J. P., and Buckingham, A. D., 1997, Chem. Phys. Lett., 270, 245.
32. Lakin, N. M., Dopfer, O., Howard, B. J., and Maier, J. P., 2000, Molec. Phys., 98, 81.
33. Randall, R. W., Ibbotson, J. B., and Howard, B. J., 1994, J. chem. Phys., 100, 7042.
34. Bunker, P. R., 1979, Molecular Symmetry and Spectroscopy (New York: Academic Press).
35. Hutson, J. M., and Thornley, A. E., 1994, J. chem. Phys., 100, 2505.
36. Fox, K., and Ozier, I., 1970, J. chem. Phys., 52, 5044.
37. Smith, L. N., and Secrest, D., 1980, J. chem. Phys., 74, 3882.
38. Heijman, G. A., Korona, T., Moszynski, R., Wormer, P. E. S., and van der Avoird, A., 1997, J. chem. Phys., 107, 902.
39. Buck, U., Kohlhase, A., Secrest, D., Phillips, T., Scoles, G., and Grein, F., 1985, Molec. Phys., 55, 1233.
40. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Gill, P. M. W., Johnson, B. G., Robb, M. A., Cheeseman, J. R., Keith, T., Petersson, G. A., Montgomery, J. A., Raghavachari, K., Al-Laham, M. A., Zakrzewski, V. G., Ortiz, J. V., Foresman, J. B., Cioslowski, J., Stefanov, B. B., Nanayakkara, A., Challacombe, M., Peng, C. Y., Ayala, P. Y., Chen, W., Wong, M. W., Andres, J. L., Replogle, E. S., Gomperts, R., Martin, R. L., Fox, D. J., Binkley, J. W., Defrees, D. J., Baker, J., Stewart, J. P., Head-Gordon, M., Gonzales, C., and Pople, J. A., 1995, Gaussian 94, Revision E.2. (Pittsburgh, PA: Gaussian, Inc.).
41. Boys, S. F., and Bernardi, F., 1970, Molec. Phys., 19, 553.
42. Woon, D. E., and Dunning, T. H., 1993, J. chem. Phys., 99, 1914.
43. Chalasinski, G., and Szczesniak, M. M., 1994, Chem. Rev., 94, 1.
44. Schäfer, E., Begemann, M. H., Gudeman, C. S., and Saykally, R. J., 1983, J. chem. Phys., 79, 3159.
45. Polak, M., Gruebele, M., Dekock, B. W., and Saykally, R. J., 1989, Molec. Phys., 66, 1193.
46. Brooks, M. D., Hughes, D. J., and Howard, B. J., 1996, J. chem. Phys., 107, 2738.
47. Randall, R. W., Ibbotson, J. B., and Howard, B. J., 1994, J. chem. Phys., 100, 7051.
48. Brooks, M. D., Hughes, D. J., and Howard, B. J., 1996, J. chem. Phys., 104, 4391.
49. Heijman, G. A., Wormer, P. E. S., van der Avoird, A., Miller, R. E., and Moszynski, R., 1999, J. chem. Phys., 110, 5639.
50. Miller, R. E., Heijman, G. A., Wormer, P. E. S., van der Avoird, A., and Moszynski, R., 1999, J. chem. Phys., 110, 5651.
51. Crofton, M. W., and Oka, T., 1987, J. chem. Phys., 86, 5983.
52. Schadie;fer, E., Saykally, R. J., and Robiette, A. G., 1984, J. chem. Phys., 80, 3969.
53. Demuynck, C., 1994, J. molec. Spectrosc., 168, 215.
54. Bailleux, S., Bogey, M., Bolvin, H., Civis, S., Cordonnier, M., Krupnov, A. F., Tretyakov, M. Y., Walters, A., and Coudert, L. H., 1998, J. molec. Spectrosc., 190, 130.
55. Watson, J. K. G., Foster, S. C., McKellar, A. R. W., Bernath, P., Amano, T., Pan, F. S., Crofton, M. W., Altman, R. S., and Oka, T., 1984, Can. J. Phys., 62, 1875.
56. Dopfer, O., Nizkorodov, S. A., Olkhov, R. V., Maier, J. P., and Harada, K., 1998, J. phys. Chem. A, 102, 10017.
57. Dopfer, O., 1999, unpublished data.
58. Buckingham, A. D., 1967, Intermolecular Forces, edited by J. O. Hirschfelder (New York: Wiley), p. 107.
59. Gao, D., Liangjin, C., Zhiru, L., Fu-Ming, T., and Yuh-Kang, P., 1997, Chem. Phys. Lett., 277, 483.
60. Urban, R. D., Jörissen, L. G., Matsumoto, Y., and Takami, M., 1995, J. chem. Phys., 103, 3960.
61. Pak, I., Roth, D. A., Hepp, M., Winnewisser, G., Scouteris, D., Howard, B. J., and Yamada, K. M. T., 1998, Z. Naturforsch., 53a, 7725.
62. Eichenauer, D., and Le Roy, R. J., 1988, J. chem. Phys., 88, 2898.