Isotope effects on the rate constants for the processes O2 + O → O + O2 and O2 + O + Ar → O3 + Ar: On a modified ground-state potential energy surface for ozone

Chemical Physics

Volumn 217, Issue 1, 1997, Pages 1-18

  Gross, Allan ^a   Billing, G D ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031569627     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(97)84555-7     Document Type: Article

References (58)

1. J. Keck, J. Chem. Phys. 29 (1958) 410.
2. D.L. Bunker and N. Davidson, J. Am. Chem. Soc. 80 (1958) 5090.
3. D.L. Bunker, J. Chem. Phys. 32 (1960) 1001.
4. R.E. Roberts, R.B. Bernstein and C.F. Curtiss, J. Chem. Phys. 50 (1969) 5163.
5. P.A. Whitlock, J.T. Muckerman and R.E. Roberts, J. Chem. Phys. 60 (1974) 3658.
6. A.J.C. Varandas, A.A.C.C. Pais, J.M.C. Marques and W. Wang, Chem. Phys. Lett. 249 (1996) 264.
7. A. Gross and G.D. Billing, Chem. Phys. 173 (1993) 393.
8. A. Gross and G.D. Billing, Chem. Phys. 187 (1994) 329.
9. M.G. Sheppard and R.B. Walker, J. Chem. Phys. 78 (1983) 7191.
10. K. Yamashita, K. Morokuma, F. Le Quéré and C. Leforestier, Chem. Phys. Lett. 191 (1992) 515.
11. G.-J. Kroes and R.P.H. Rettschnick, Chem. Phys. 156 (1991) 293.
12. A.J. Stace and J.N. Murrell, J. Chem. Soc. Faraday II 74 (1978) 2182.
13. A.J.C. Varandas and J.N. Murrell, Chem. Phys. Lett. 88 (1982) 1.
14. A.J.C. Varandas and A.A.C.C. Pais, Mol. Phys. 65 (1988) 843.
15. M. Chajia and M. Jacon, J. Chem. Phys. 101 (1994) 271.
16. M. Chajia and M. Jacon, Chem. Phys. 195 (1995) 195.
17. H.-J. Werner and P.J. Knowles, J. Chem. Phys. 89 (1989) 5803.
18. W. Brennen and H. Niki, J. Chem. Phys. 42 (1965) 3725.
19. J.T. Herron and F.S. Klein, J. Chem. Phys. 40 (1964) 2731.
20. S. Jaffe and F.S. Klein, Trans. Faraday Soc. 62 (1966) 3135.
21. H. Hippler and J. Troe, Ber. Bunsenges. Phys. Chem. 75 (1971) 27.
22. M. Quack and J. Troe, Ber. Bunsenges. Phys. Chem. 81 (1977) 160.
23. M. Quack and J. Troe, Ber. Bunsenges. Phys. Chem. 81 (1977) 329.
24. A.E. Croce De Cobos and J. Troe, Int. J. Chem. Kinet. 16 (1984) 1519.
25. S.M. Anderson, F.S. Klein and F. Kaufman, J. Chem. Phys. 83 (1985) 1648.
26. H. Hippler, R. Rahn and J. Troe, J. Chem. Phys. 93 (1990) 6560.
27. J. Sehested, O.J. Nielsen, H. Egsgaats, N.W. Larsen, T. Pedersen, L.K. Christensen and M. Wiegell, J. Geophys. Res. 100 (1995) 20979.
28. P.J. Hay and W.A. Goddard III, Chem. Phys. Lett. 14 (1972) 46.
29. J.S. Wright, Can. J. Chem. 51 (1973) 139.
30. S. Shih, R.J. Buenker and S.D. Peyerimhoff, Chem. Phys. Lett. 28 (1974) 463.
31. D. Grimbert and A. Devaquet, Mol. Phys. 27 (1974) 831.
32. P.J. Hay, T.H. Dunning and W.A Goddard III, J. Chem. Phys. 62 (1975) 3912.
33. R.R. Lucchese and H.F. Schaefer III, J. Chem. Phys. 67 (1977) 848.
34. P.J. Hay and T.H. Dunning, J. Chem. Phys. 67 (1977) 2290.
35. P.G. Burton, J. Chem. Phys. 71 (1979) 961.
36. P.J. Hay, R.T. Pack, R.B. Walker and E.J. Heller, J. Phys. Chem. 86 (1982) 862.
37. R.O. Jones, J. Chem. Phys. 82 (1985) 325.
38. F. Moscardo, R. Andatias and E. San-Fabian, Int. J. Quant. Chem. 34 (1988) 375.
39. J.F. Stanton, W.N. Lipscomb, D.H. Magers and R.J. Barlett, J. Chem. Phys. 90 (1989) 1077.
40. D. Nordfors, H. Ågren and H.J.Å. Jensen, Int. J. Quant. Chem. 40 (1991) 475.
41. S.S. Xantheas, G.J. Atchity, S.T. Elbert and K. Ruedenberg, J. Chem. Phys. 94 (1991) 8054.
42. J.N. Murrell, K.S. Sorbie and A.J.C. Varandas, Mol. Phys. 32 (1976) 1359.
43. J.N. Murrell and S. Farantos, Mol. Phys. 34 (1977) 1185.
44. S. Carter, I.M. Mills, J.N. Murrell and A.J.C. Varandas, Mol. Phys. 45 (1982) 1053.
45. J.M. Standard and M.E. Kellman, J. Chem. Phys. 94 (1991) 4714.
46. J.N. Murrell, S. Carter, S.C. Farantos, P. Huxley and A.J.C. Varandas, Molecular potential energy functions (Wiley, New York, 1984).
47. M.B. Faist, J.T. Muckerman and F.E. Schubert, J. Chem. Phys. 69 (1978) 4087.
48. J.T. Muckerman and M.B. Faist, J. Chem. Phys. 83 (1979) 79.
49. G.D. Billing, L.Yu. Rusin and M.B. Sevryuk, J. Chem. Phys. 103 (1995) 2482.
50. F.T. Krogh, J. Numer. Anal. 10 (1973) 949.
51. A. Gross and G.D. Billing, Chem. Phys. 202 (1996) 321.
52. N. Balakrishnan and G.D. Billing, J. Chem. Phys. 101 (1994) 2968.
53. N. Wessel Larsen, T. Pedersen and J. Sehested, Int. J. Chem. Kin. 23 (1991) 331.
54. N. Wessel Larsen, T. Pedersen and J. Sehested, Isotope study of the mechanism of ozone formation, in: Isotope effects in gas-phase chemistry, ed. J.A. Kay, ACS Symp. Ser., Vol. 502 (1992) p. 167.
55. K. Mauersberger, J. Morton, B. Schueler, J. Stehr and S.M. Anderson, Geophys. Res. Lett. 20 (1993) 1031.
56. 2v minimum are from: G. Herzberg, Molecular spectra and molecular structure, Vol. 3. Electronic spectra and electronic structure of polyatomic molecules (Van Nostrand, New York, 1966). Vibrational frequencies are from: A. Barbe, C. Secroun and J. Jouve, J. Mol. Spectroc. 49 (1974) 171. Experimental dissociation energy is from: H.-J. Werner and P.J. Knowles, J. Chem. Phys. 89 (1998) 5803.
57. 2v minimum are from: G. Herzberg, Molecular spectra and molecular structure, Vol. 3. Electronic spectra and electronic structure of polyatomic molecules (Van Nostrand, New York, 1966). Vibrational frequencies are from: A. Barbe, C. Secroun and J. Jouve, J. Mol. Spectroc. 49 (1974) 171. Experimental dissociation energy is from: H.-J. Werner and P.J. Knowles, J. Chem. Phys. 89 (1998) 5803.
58. 2v minimum are from: G. Herzberg, Molecular spectra and molecular structure, Vol. 3. Electronic spectra and electronic structure of polyatomic molecules (Van Nostrand, New York, 1966). Vibrational frequencies are from: A. Barbe, C. Secroun and J. Jouve, J. Mol. Spectroc. 49 (1974) 171. Experimental dissociation energy is from: H.-J. Werner and P.J. Knowles, J. Chem. Phys. 89 (1998) 5803.