Crossed-beam reaction of carbon atoms with hydrocarbon molecules. I. Chemical dynamics of the propargyl radical formation, C3H3 (X2B2), from reaction of C(3Pj) with ethylene, C2H4(X1/Ag)

Journal of Chemical Physics

Volumn 105, Issue 19, 1996, Pages 8705-8720

  Kaiser, R I ^b   Lee, Y T ^a   Suits, A G ^b  

^a ACADEMIA SINICA   (Taiwan)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001631102     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472652     Document Type: Article

References (71)

1. E. Herbst, H. H. Lee, D. A. Howe, and T. J. Millar, Mon. Not. Royal Astronomical Society 268, 335 (1994).
2. Symposium on Titan (ESA-SP 338, ESTEC, Noordwijk, 1992).
3. R. D. Kern, K. Xie, and H. Chen, Combust. Sci. and Tech. 85, 77 (1992).
4. G. J. Collin, H. Deslauriers, G. R. De Mare, and R. A. Poirier, J. Phys. Chem. 94, 134 (1990).
5. P. R. Westmoreland, A. M. Dean, J. B. Howard, and J. P. Longwell, J. Phys. Chem. 93, 8171 (1989), and references therein.
6. G. Rotzell, Int. J. Chem. Kinetics 17, 637 (1985).
7. R. D. Smith, Combust. Flame 35, 179 (1979).
8. I. R. Slagle and D. Gutman, Proc. 23rd Symp. Int. Combust. Chemistry, 875 (1988).
9. J. A. Miller and C. F. Melius, Combustion and Flame 91, 21 (1992).
10. J. D. Adamson, C. L. Morter, J. D. DeSain, G. P. Glass, and R. F. Curl, J. Phys. Chem. 100, 2125 (1996).
11. L. R. Thorne, M. C. Branch, D. W. Chandler, R. J. Kee, and J. Miller, Proc. 21st Symp. Int. Combust. Chemistry, 965 (1986).
12. D. Toublanc, J. P. Parisot, J. Brillet, D. Gautier, F. Raulin, and C. P. McKay, Icarus 113, 2 (1995).
13. Y. H. Kim and J. L. Fox, Icarus 112, 310 (1994).
14. E. Herbst, Angew. Chemie 102, 627 (1990).
15. E. Herbst and C. M. Leung, Ap. J. Supl. Ser. 69, 271 (1989).
16. M. Marshall, C. MacKay, and R. Wolfgang, J. Am. Chem. Soc. 86, 4741 (1964).
17. G. Stoecklin, Chemie heisser Atome (Weinheim, VCH, 1969).
18. A. P. Wolf, in Hot Atom Chemistry Status Report (IAEA, Vienna, 1975), pp. 203-209.
19. C. MacKay, J. Am. Chem. Soc. 83, 2399 (1961).
20. P. Gaspar, in Handbook of Hot Atom Chemistry, edited by J.-P. Adloff, P. P. Gaspar, M. Imamura, A. G. Maddock, T. Matsuura, H. Sano, K. Yoshihara (VCH, Weinheim, 1992).
21. J. Dubrin, C. MacKay, and R. Wolfgang, J. Am. Chem. Soc. 86, 959 (1964).
22. J. Dubrin, H. Rosenberg, R. Wolfgang, and C. MacKay, in Chemical Effects of Nuclear Transformations (Elsevier, New York, 1979), p. 238.
23. J. Nicholas, C. MacKay, and R. Wolfgang, Tetrahedron 22, 2967 (1966).
24. M. Marshall, Ph.D. thesis, Yale University, 1969.
25. F. F. Martinotti, M. J. Welch, and A. P. Wolf, J. Chem. Soc. D, 115 (1968).
26. Handbook of Chemistry and Physics (CRC Press, Boca Raton, 1995).
27. Y. T. Lee, Science 236, 793 (1987).
28. A. M. Schmoltner, P. M. Chu, R. J. Brudzynski, and Y. T. Lee, J. Chem. Phys. 91, 6926 (1989).
29. Y. T. Lee, J. D. McDonald, P. R. LeBreton, and D. R. Herschbach, Rev. Sci. Instr 40, 1402 (1969).
30. R. I. Kaiser and A. G. Suits, Rev. Sci. Instr. 66, 5405 (1995).
31. G. O. Brink, Rev. Sci. Instr. 37, 857 (1966).
32. N. R. Daly, Rev. Sci. Instr. 31, 264 (1960).
33. J. M. Parson, K. Shobatake, Y. T. Lee, and S. A. Rice, J. Chem. Phys. 59, 1402 (1973).
34. M. S. Weis, Ph.D. thesis, University of California, Berkeley, 1986.
35. M. Vernon, Thesis, University of California, Berkeley, 1981.
36. R. Merges and A. Mebel, J. Am. Chem. Soc. 116, 8229 (1994).
37. S. Walsh, NASA Ames Research Center, Moffet Field (private communication).
38. R. I. Kaiser, Y. T. Lee, and A. G. Suits, J. Chem. Phys. (submitted).
39. A deviation of this long-lived complex outcome occurs, if a long-lived complex decomposes with oblate symmetry and energy conservation excludes states with high M′ values (M′: Projection of the total angular momentum vector J on the relative velocity vector of the departing fragments, v′). In this scenario, the T(θ) maximum shifts from 90° to an intermediate position.
40. W. B. Miller, S. A. Safron, and D. R. Herschbach, Discuss. Faraday. Society 44, 108, 291 (1967).
41. W. B. Miller, Ph.D. thesis, Harvard University, Cambridge, 1969.
42. D. C. Clary, N. Haider, D. Husain, and M. Kabir, Ap. J. 422, 416 (1994).
43. P. Botschwina, R. Oswald, and J. Flügge, Z. Phys. Chemie 188, 29 (1995).
44. C. J. Cramer and S. E. Worthington, J. Phys. Chem. 99, 1462 (1995).
45. M. Monnier, A. Allouche, P. Verlaque, and J.-P. Aycard, J. Phys. Chem. 99, 5977 (1995).
46. O. A. Mosher, W. M. Flicker, and A. Kuppermann, J. Chem. Phys. 62, 2600 (1975).
47. W. C. Shakespeare and R. P. Johnson, J. Org. Chem. 56, 6377 (1991).
48. P. Warner and R. Sutherland, J. Org. Chem. 57, 6294 (1992).
49. C. W. Bauschlicher and S. R. Langhoff, Chem. Phys. Let. 193, 380 (1992).
50. A. Rauk, W. J. Bouma, and L. Radom, J. Am. Chem. Soc. 107, 3780 (1985).
51. D. W. Ball, R. G. S. Pong, and Z. H. Kafafi, J. Am. Chem. Soc. 115, 2864 (1993).
52. N. Honjou, J. Pacansky, and M. Yoshimine, J. Am. Chem. Soc. 107, 5332 (1985).
53. M. Yoshimine, J. Pacansky, and N. Honjpu, J. Am. Chem. Soc. 111, 2785 (1989).
54. R. O. Angus, M. W. Schmidt, and R. P. Johnson, J. Am. Chem. Soc. 107, 532 (1985).
55. S. Xantheas, S. T. Elbert, and K. Ruedenberg, Theor. Chim. Acta 78, 365 (1991).
56. N. Honjou, J. Pacansky, and M. Yoshimine, J. Am. Chem. Soc. 106, 5361 (1984).
57. P. Valtazanos, S. T. Elbert, S. Xantheas, and K. Ruedenberg, Theor. Chim. Acta 78, 287 (1991).
58. M. Yoshimine, J. Pacansky, and N. Honjou, J. Am. Chem. Soc. 111, 4198 (1989).
59. Care has to be taken to classify symmetry allowed and forbidden reactions in open shell triplet biradicals.
60. 60 See Ref. 59. In closed shell molecules, 1-3-H-migrations are symmetry forbidden.
61. R. D. Levine and R. B. Bernstein, Molecular Reaction Dynamics and Chemical Reactivity (Oxford University Press, Oxford, 1987).
62. T. Carrington, L. M. Hubbard, H. F. Schaefer, and W. H. Miller, J. Chem. Phys. 80, 4347 (1981).
63. R. I. Kaiser, Y. T. Lee, and A. G. Suits, J. Chem. Phys. 103, 10395 (1995).
64. R. A. Marcus, J. Chem. Phys. 62, 1372 (1975).
65. N. J. Turro, Modern Molecular Photochemistry (University Science Books, Milla Valley, 1991).
66. K. Tanaka and M. Yoshimine, J. Am. Chem. Soc. 102, 7566 (1980).
67. A. P. Scott, R. H. Nobes, H. F. Schaefer, and L. Radom, J. Am. Chem. Soc. 116, 10159 (1994).
68. T. A. Albright, J. K. Burdett, and M. H. Whangbo, Orbital Interactions in Chemistry (New York, Wiley, 1985).
69. P. Schilke, J. Keene, J. le Bourlot, J. P. Des Forets, and E. Roueff, Astronomy and Astrophysics 294, L17 (1995).
70. G. J. White and G. Sandell, Astronomy and Astrophysics 299, 179 (1995).
71. J. O. Hirschfelder, C. F. Curtiss, R. B. Bird, Molecular Theory of Gases and Liquids (Wiley, New York, 1954).