New studies of the unimolecular reaction NO2 ⇆ O + NO. Part 2. Relation between high pressure rate constants and potential parameters

Physical Chemistry Chemical Physics

Volumn 1, Issue 1, 1999, Pages 63-72

  Harding, L B ^a   Stark, H ^b   Troe, J ^b   Ushakov, V G ^c  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

^c RUSSIAN ACADEMY OF SCIENCES   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; HYPERBARISM; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHYSICAL CHEMISTRY; VIBRATION;

EID: 0032997325     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a806521g     Document Type: Article

References (71)

1. H. Hippler, M. Siefke, H. Stark and J. Troe, Phys. Chem. Chem. Phys., 1999, 1, 57.
2. S. Yu. Grebenshchikov, H. Flöthmann, R. Schinke, I. Bezel, C. Wittig and S. Kato, Chem. Phys. Lett., in the press.
3. B. Abel, N. Lange and J. Troe, Phys. Chem. Chem. Phys., manuscript in preparation (Part 3 of this series).
4. (a) J. Troe, Ber. Bunsenges. Phys. Chem., 1969, 73, 144;
5. (b) M. Röhrig, E. L. Petersen, D. F. Davidson and R. K. Hanson, Int. J. Chem. Kinet., 1997, 29, 483.
6. J. Troe, Ber. Bunsenges. Phys. Chem., 1969, 73, 906; H. Gaedtke and J. Troe, Ber. Bunsenges. Phys. Chem., 1975, 79, 184.
7. J. Troe, Ber. Bunsenges. Phys. Chem., 1969, 73, 906; H. Gaedtke and J. Troe, Ber. Bunsenges. Phys. Chem., 1975, 79, 184.
8. (a) K. Glänzer and J. Troe, J. Chem. Phys., 1975, 63, 4352;
9. (b) R. P. Fernando and I. W. S. Smith, Chem. Phys. Lett., 1979, 66, 218;
10. (c) J. A. Dodd, S. M. Singleton, S. M. Miller, P. S. Armstrong and W. A. M. Blumenberg, Chem. Phys. Lett., 1996, 260, 103;
11. (d) H. V. Lilenfeld, PL-TR-94-2180, Phillips Laboratory Final Report, 1994, cited in (c).
12. H. Gaedtke, H. Hippler and J. Troe, Chem. Phys. Lett., 1972, 16, 177.
13. G. A. Brucker, S. I. Ionov, Y. Chen and C. Wittig, Chem. Phys. Lett., 1992, 194, 301; S. I. Ionov, G. A. Brucker, C. Jaques, Y. Chen and C. Wittig, J. Chem. Phys., 1993, 99, 3420; C. Wittig and S. I. Ionov, J. Chem. Phys., 1994, 100, 4714; S. I. Ionov, H. F. Davis, K. Mikhaylichenko, L. Valachovic, R. A. Beaudet and C. Wittig, J. Chem. Phys. 1994, 101, 4809; P. I. Ionov, I. Bezel, S. I. Ionov and C. Wittig, in the press.
14. G. A. Brucker, S. I. Ionov, Y. Chen and C. Wittig, Chem. Phys. Lett., 1992, 194, 301; S. I. Ionov, G. A. Brucker, C. Jaques, Y. Chen and C. Wittig, J. Chem. Phys., 1993, 99, 3420; C. Wittig and S. I. Ionov, J. Chem. Phys., 1994, 100, 4714; S. I. Ionov, H. F. Davis, K. Mikhaylichenko, L. Valachovic, R. A. Beaudet and C. Wittig, J. Chem. Phys. 1994, 101, 4809; P. I. Ionov, I. Bezel, S. I. Ionov and C. Wittig, in the press.
15. G. A. Brucker, S. I. Ionov, Y. Chen and C. Wittig, Chem. Phys. Lett., 1992, 194, 301; S. I. Ionov, G. A. Brucker, C. Jaques, Y. Chen and C. Wittig, J. Chem. Phys., 1993, 99, 3420; C. Wittig and S. I. Ionov, J. Chem. Phys., 1994, 100, 4714; S. I. Ionov, H. F. Davis, K. Mikhaylichenko, L. Valachovic, R. A. Beaudet and C. Wittig, J. Chem. Phys. 1994, 101, 4809; P. I. Ionov, I. Bezel, S. I. Ionov and C. Wittig, in the press.
16. G. A. Brucker, S. I. Ionov, Y. Chen and C. Wittig, Chem. Phys. Lett., 1992, 194, 301; S. I. Ionov, G. A. Brucker, C. Jaques, Y. Chen and C. Wittig, J. Chem. Phys., 1993, 99, 3420; C. Wittig and S. I. Ionov, J. Chem. Phys., 1994, 100, 4714; S. I. Ionov, H. F. Davis, K. Mikhaylichenko, L. Valachovic, R. A. Beaudet and C. Wittig, J. Chem. Phys. 1994, 101, 4809; P. I. Ionov, I. Bezel, S. I. Ionov and C. Wittig, in the press.
17. G. A. Brucker, S. I. Ionov, Y. Chen and C. Wittig, Chem. Phys. Lett., 1992, 194, 301; S. I. Ionov, G. A. Brucker, C. Jaques, Y. Chen and C. Wittig, J. Chem. Phys., 1993, 99, 3420; C. Wittig and S. I. Ionov, J. Chem. Phys., 1994, 100, 4714; S. I. Ionov, H. F. Davis, K. Mikhaylichenko, L. Valachovic, R. A. Beaudet and C. Wittig, J. Chem. Phys. 1994, 101, 4809; P. I. Ionov, I. Bezel, S. I. Ionov and C. Wittig, in the press.
18. J. Miyawaki, K. Yamanouchi and S. Tsuchiya, Chem. Phys. Lett., 1991, 180, 287; J. Chem. Phys., 1993, 99, 254; 1994, 100, 4716.
19. J. Miyawaki, K. Yamanouchi and S. Tsuchiya, Chem. Phys. Lett., 1991, 180, 287; J. Chem. Phys., 1993, 99, 254; 1994, 100, 4716.
20. J. Miyawaki, K. Yamanouchi and S. Tsuchiya, Chem. Phys. Lett., 1991, 180, 287; J. Chem. Phys., 1993, 99, 254; 1994, 100, 4716.
21. B. Abel, H. H. Hamann and N. Lange, Faraday Discuss., 1995, 102, 147.
22. D. C. Robie, M. Hunter, J. L. Bates and H. Reisler, Chem. Phys. Lett., 1992, 193, 413; M. Hunter, S. A. Reid, D. C. Robie and H. Reisler, J. Chem. Phys., 1993, 99, 1093; S. A. Reid, J. T. Brandon, M. Hunter and H. Reisler, J. Chem. Phys., 1993, 99, 4860.
23. D. C. Robie, M. Hunter, J. L. Bates and H. Reisler, Chem. Phys. Lett., 1992, 193, 413; M. Hunter, S. A. Reid, D. C. Robie and H. Reisler, J. Chem. Phys., 1993, 99, 1093; S. A. Reid, J. T. Brandon, M. Hunter and H. Reisler, J. Chem. Phys., 1993, 99, 4860.
24. D. C. Robie, M. Hunter, J. L. Bates and H. Reisler, Chem. Phys. Lett., 1992, 193, 413; M. Hunter, S. A. Reid, D. C. Robie and H. Reisler, J. Chem. Phys., 1993, 99, 1093; S. A. Reid, J. T. Brandon, M. Hunter and H. Reisler, J. Chem. Phys., 1993, 99, 4860.
25. R. Georges, A. Delon and R. Jost, J. Chem. Phys., 1995, 103, 1732; A. Delon, R. Georges and R. Jost, J. Chem. Phys., 1995, 103, 7740; R. Georges, A. Delon, F. Bylicki, R. Jost, A. Campargue, A. Charvat, M. Chenevier and F. Stoeckel, Chem. Phys., 1995, 190, 207.
26. R. Georges, A. Delon and R. Jost, J. Chem. Phys., 1995, 103, 1732; A. Delon, R. Georges and R. Jost, J. Chem. Phys., 1995, 103, 7740; R. Georges, A. Delon, F. Bylicki, R. Jost, A. Campargue, A. Charvat, M. Chenevier and F. Stoeckel, Chem. Phys., 1995, 190, 207.
27. R. Georges, A. Delon and R. Jost, J. Chem. Phys., 1995, 103, 1732; A. Delon, R. Georges and R. Jost, J. Chem. Phys., 1995, 103, 7740; R. Georges, A. Delon, F. Bylicki, R. Jost, A. Campargue, A. Charvat, M. Chenevier and F. Stoeckel, Chem. Phys., 1995, 190, 207.
28. R. Jost, J. Nygard, A. Pasinski and A. Delon, J. Chem. Phys., 1996, 105, 1287; T. J. Butenhoff and E. A. Rohlfing, J. Chem. Phys., 1994, 101, 3618, 3634.
29. R. Jost, J. Nygard, A. Pasinski and A. Delon, J. Chem. Phys., 1996, 105, 1287; T. J. Butenhoff and E. A. Rohlfing, J. Chem. Phys., 1994, 101, 3618, 3634.
30. (a) M. Quack and J. Troe, Ber. Bunsenges. Phys. Chem. 1974, 78, 240;
31. (b) 1975, 79, 170;
32. (c) 1975, 79, 469.
33. M. Jungen and J. Troe, Ber. Bunsenges. Phys. Chem., 1970, 74, 276; H. Gaedtke and J. Troe, Ber. Bunsenges. Phys. Chem., 1973, 77, 24.
34. M. Jungen and J. Troe, Ber. Bunsenges. Phys. Chem., 1970, 74, 276; H. Gaedtke and J. Troe, Ber. Bunsenges. Phys. Chem., 1973, 77, 24.
35. I. W. M. Smith, Int. J. Chem. Kinet., 1984, 16, 423.
36. U. Peskin, H. Reisler and W. H. Miller, J. Chem. Phys., 1994, 101, 9672; U. Peskin, W. H. Miller and H. Reisler, J. Chem. Phys., 1995, 102, 8874; S. A. Reid and H. Reisler, J. Phys. Chem., 1996, 100, 474.
37. U. Peskin, H. Reisler and W. H. Miller, J. Chem. Phys., 1994, 101, 9672; U. Peskin, W. H. Miller and H. Reisler, J. Chem. Phys., 1995, 102, 8874; S. A. Reid and H. Reisler, J. Phys. Chem., 1996, 100, 474.
38. U. Peskin, H. Reisler and W. H. Miller, J. Chem. Phys., 1994, 101, 9672; U. Peskin, W. H. Miller and H. Reisler, J. Chem. Phys., 1995, 102, 8874; S. A. Reid and H. Reisler, J. Phys. Chem., 1996, 100, 474.
39. D. M. Wardlaw and R. A. Marcus, Adv. Chem. Phys., 1988, 70, 231; S. J. Klippenstein and R. Radivoyevitch, J. Chem. Phys., 1993, 99, 3644.
40. D. M. Wardlaw and R. A. Marcus, Adv. Chem. Phys., 1988, 70, 231; S. J. Klippenstein and R. Radivoyevitch, J. Chem. Phys., 1993, 99, 3644.
41. H. Reisler, H-M. Keller and R. Schinke, Comments At. Mol. Phys., 1994, 30, 191;
42. M. v. Dirke, B. Heumann, K. Kühl, Th. Schröder and R. Schinke, J. Chem. Phys., 1994, 101, 2051.
43. H. Katagiri and S. Kato, J. Chem. Phys., 1993, 99, 8805.
44. J. Troe, J. Chem. Phys., 1996, 105, 6249.
45. A. I. Maergoiz, E. E. Nikitin, J. Troe and V. G. Ushakov, J. Chem. Phys., 1996, 105, 6263, 6270, 6277.
46. A. I. Maergoiz, E. E. Nikitin, J. Troe and V. G. Ushakov, J. Chem. Phys., 1998, 108, 5265, 9987.
47. T. H. Dunning, J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning and R. H. Harrison, J. Chem. Phys., 1992, 96, 6796; D. E. Woon and T. H. Dunning, J. Chem. Phys., 1993, 98, 1358.
48. T. H. Dunning, J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning and R. H. Harrison, J. Chem. Phys., 1992, 96, 6796; D. E. Woon and T. H. Dunning, J. Chem. Phys., 1993, 98, 1358.
49. T. H. Dunning, J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning and R. H. Harrison, J. Chem. Phys., 1992, 96, 6796; D. E. Woon and T. H. Dunning, J. Chem. Phys., 1993, 98, 1358.
50. S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem., 1974, 8, 61; D. W. Silver and E. R. Davidson, Chem. Phys. Lett., 1978, 52, 403.
51. S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem., 1974, 8, 61; D. W. Silver and E. R. Davidson, Chem. Phys. Lett., 1978, 52, 403.
52. R. Shepard, I. Shavitt, R. M. Pitzer, D. C. Corneau, M. Pepper, H. Lischka, P. G. Szalay, R. Ahlrichs, F. B. Brown and J-G. Zhao, Int. J. Quantum. Chem., 1988, S22, 149.
53. L. B. Harding, Ber. Bunsenges. Phys. Chem., 1997, 101, 363.
54. L. B. Harding and J. Troe, to be published.
55. G. J. Vazquez Torres, personal communication; C. Goday Alcantar, PhD Thesis, Universidad de Morelos, Cuernavaca, Mexico, 1992; G. D. Gillespie, A. U. Khan, A. C. Wahl, R. P. Hosteny and M. Krauss, J. Chem. Phys., 1973, 63, 3425.
56. G. J. Vazquez Torres, personal communication; C. Goday Alcantar, PhD Thesis, Universidad de Morelos, Cuernavaca, Mexico, 1992; G. D. Gillespie, A. U. Khan, A. C. Wahl, R. P. Hosteny and M. Krauss, J. Chem. Phys., 1973, 63, 3425.
57. T. D. Crawford, J. F. Stanton, P. G. Szalay and H. F. Schaefer, J. Chem. Phys., 1997, 107, 2525.
58. C. J. Cobos and J. Troe, J. Chem. Phys., 1985, 83, 1010.
59. JANAF Thermochemical Tables, 2nd edn., NSRDS-NBS 37, U.S. Government Printing Office, Washington, 1971.
60. A. Delon and R. Jost, J. Chem. Phys., 1991, 96, 5686.
61. J. L. Hardwick and J. C. S. Brand, Can. J. Phys., 1976, 54, 80.
62. K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand, New York, 1979.
63. G. D. T. Tejwani, B. M. Golden and E. S. Yeung, J. Chem. Phys., 1976, 65, 5110.
64. C. F. Fischer, At. Data, 1973, 12, 87.
65. J. O. Hirschfelder, C. F. Curtiss and R. B. Bird, Molecular Theory of Gases and Liquids, Wiley, New York, 1954.
66. A. A. Radzig and B. M. Smirnov, Reference Data on Atoms, Molecules, and Ions, Springer-Verlag, Berlin, Heidelberg, 1985.
67. J. Troe, J. Phys. Chem., 1986, 90, 3485.
68. S. P. Walch, J. Chem. Phys., 1995, 102, 4189.
69. G. Suzzi Valli, R. Orrú, E. Clementi, A. Laganà and S. Crocchianti, J. Chem. Phys., 1995, 102, 2825.
70. J. Troe, Z. Phys. Chem. NF, 1989, 161, 209.
71. J. Troe, J. Chem. Soc., Faraday Trans., 1991, 87, 2299.