Crossed beam reaction of cyano radicals with hydrocarbon molecules. I. Chemical dynamics of cyanobenzene (C6H5CN; X1A1) and perdeutero cyanobenzene (C6D5CN; X1A1) formation from reaction of CN(X2Σ+) with benzene C6H6(X1A1g)

Journal of Chemical Physics

Volumn 111, Issue 16, 1999, Pages 7457-7471

  Balucani, N ^a,c   Asvany, O ^a,d   Chang, A H H ^a   Lin, S H ^a   Lee, Y T ^a   Kaiser, R I ^a,d   Bettinger, H F ^b   Schleyer, P V R ^b   Schaefer III, H F ^b  

^a INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^b UNIVERSITY OF GEORGIA   (United States)

^c UNIVERSITY OF PERUGIA   (Italy)

^d CHEMNITZ UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001751504     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480070     Document Type: Article

References (55)

1. R. D. Kern, K. Xie, and H. Chen, Combust. Sci. Technol. 85, 77 (1992); G. J. Collin, H. Deslauriers, G. R. De Mare, and R. A. Poirier, J. Phys. Chem. 94, 134 (1990); P. R. Westmoreland, A. M. Dean, J. B. Howard, and J. P. Longwell, ibid. 93, 8171 (1989), and references therein; G. Rotzell, Int. J. Chem. Kinet. 17, 637 (1985); R. D. Smith, Combust. Flame 35, 179 (1979).
2. R. D. Kern, K. Xie, and H. Chen, Combust. Sci. Technol. 85, 77 (1992); G. J. Collin, H. Deslauriers, G. R. De Mare, and R. A. Poirier, J. Phys. Chem. 94, 134 (1990); P. R. Westmoreland, A. M. Dean, J. B. Howard, and J. P. Longwell, ibid. 93, 8171 (1989), and references therein; G. Rotzell, Int. J. Chem. Kinet. 17, 637 (1985); R. D. Smith, Combust. Flame 35, 179 (1979).
3. R. D. Kern, K. Xie, and H. Chen, Combust. Sci. Technol. 85, 77 (1992); G. J. Collin, H. Deslauriers, G. R. De Mare, and R. A. Poirier, J. Phys. Chem. 94, 134 (1990); P. R. Westmoreland, A. M. Dean, J. B. Howard, and J. P. Longwell, ibid. 93, 8171 (1989), and references therein; G. Rotzell, Int. J. Chem. Kinet. 17, 637 (1985); R. D. Smith, Combust. Flame 35, 179 (1979).
4. R. D. Kern, K. Xie, and H. Chen, Combust. Sci. Technol. 85, 77 (1992); G. J. Collin, H. Deslauriers, G. R. De Mare, and R. A. Poirier, J. Phys. Chem. 94, 134 (1990); P. R. Westmoreland, A. M. Dean, J. B. Howard, and J. P. Longwell, ibid. 93, 8171 (1989), and references therein; G. Rotzell, Int. J. Chem. Kinet. 17, 637 (1985); R. D. Smith, Combust. Flame 35, 179 (1979).
5. R. D. Kern, K. Xie, and H. Chen, Combust. Sci. Technol. 85, 77 (1992); G. J. Collin, H. Deslauriers, G. R. De Mare, and R. A. Poirier, J. Phys. Chem. 94, 134 (1990); P. R. Westmoreland, A. M. Dean, J. B. Howard, and J. P. Longwell, ibid. 93, 8171 (1989), and references therein; G. Rotzell, Int. J. Chem. Kinet. 17, 637 (1985); R. D. Smith, Combust. Flame 35, 179 (1979).
6. R. I. Kaiser, D. Stranges, Y. T. Lee, and A. G. Suits, Astrophys. J. 477, 982 (1997).
7. Y. T. Lee, Science 236, 793 (1987).
8. J. H. Wang, K. Liu, G. C. Schatz, and M. ter Horst, J. Chem. Phys. 197, 7869 (1997).
9. D. M. Sonnenfroh, R. G. MacDonald, and K. Liu, J. Chem. Phys. 93, 1478 (1990).
10. M. Alagia, N. Balucani, P. Casavecchia, D. Stranges, and G. G. Volpi, J. Chem. Soc., Faraday Trans. 91, 575 (1995).
11. P. Casavecchia, N. Balucani, and G. G. Volpi, in The Chemical Dynamics and Kinetics of Small Radicals, edited by K. Liu and A. F. Wagner (World Scientific, Singapore, 1995), p. 365.
12. R. G. MacDonald and K. Liu, J. Chem. Phys. 93, 2431 (1990).
13. G. N. Robinson et al., J. Chem. Phys. 89, 6744 (1988).
14. R. I. Kaiser, O. Asvany, Y. T. Lee, H. Bettinger, P. V. Schleyer, and H. F. Schaefer (unpublished).
15. R. I. Kaiser, W. Sun, A. G. Suits, and Y. T. Lee, J. Chem. Phys. 107, 8713 (1997).
16. R. I. Kaiser, C. Ochsenfeld, D. Stranges, M. Head-Gordon, and Y. T. Lee, J. Chem. Soc. Faraday Discuss. 109, 183 (1998).
17. I. Cherchneff and A. E. Glassgold, Appl. J. 419, L41 (1993); D. A. Howe and T. J. Millar, Mon. Not. R. Astron. Soc. 244, 444 (1990).
18. I. Cherchneff and A. E. Glassgold, Appl. J. 419, L41 (1993); D. A. Howe and T. J. Millar, Mon. Not. R. Astron. Soc. 244, 444 (1990).
19. F. Raulin et al., Adv. Space Res. 22, 353 (1998).
20. I. R. Sims et al., Chem. Phys. Lett. 211, 461 (1993); I. W. M. Smith, I. R. Sims, and B. R. Rowe, Chem.-Eur. J. 3, 1925 (1997).
21. I. R. Sims et al., Chem. Phys. Lett. 211, 461 (1993); I. W. M. Smith, I. R. Sims, and B. R. Rowe, Chem.-Eur. J. 3, 1925 (1997).
22. G. E. Bullok and R. Cooper, Trans. Faraday Soc. 67, 3258 (1971).
23. L. C. L. Huang, Y. T. Lee, and R. I. Kaiser, J. Chem. Phys. 110, 7119 (1999).
24. Y. T. Lee, J. D. McDonald, P. R. LeBreton, and D. R. Herschbach, Rev. Sci. Instrum. 40, 1402 (1969).
25. R. I. Kaiser and A. G. Suits, Rev. Sci. Instrum. 66, 5405 (1995).
26. R. I. Kaiser et al., Rev. Sci. Instrum. (in press).
27. D. Proch and T. Trickl, Rev. Sci. Instrum. 60, 713 (1989).
28. G. A. Bird, Phys. Fluids 19, 1486 (1976).
29. J. H. Batey, Vacuum 37, 659 (1987).
30. G. O. Brink, Rev. Sci. Instrum. 37, 857 (1966).
31. N. R. Daly, Rev. Sci. Instrum. 31, 264 (1960).
32. +++) as detected in our experimental setup.
33. M. S. Weis, Ph.D. thesis, University of California, Berkeley, 1986; M. Vernon, thesis, University of California, Berkeley, 1981.
34. M. S. Weis, Ph.D. thesis, University of California, Berkeley, 1986; M. Vernon, thesis, University of California, Berkeley, 1981.
35. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
36. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
37. M. J. Fritsch et al., GAUSSIAN 94, Revision C.3.
38. H. Eyring, S. H. Lin, and S. M. Lin, Basic Chemical Kinetics (Wiley, New York, 1980).
39. W. H. Miller, J. Am. Chem. Soc. 101, 6810 (1979).
40. R. I. Kaiser, C. Ochsenfeld, M. Head-Gordon, and Y. T. Lee, Science 274, 1508 (1996).
41. Handbook of Chemistry and Physics (Chemical Rubber Company, Boca Raton, 1994).
42. In theory, a deviation from this forward-backward symmetry can happen if energy conservation excludes higher M states. W. B. Miller, S. A. Safron, and D. R. Herschbach, Discuss. Faraday Soc. 44, 108 (1967).
43. K. Sobatake, J. M. Parson, Y. T. Lee, and S. A. Rice, J. Chem. Phys. 59, 1427 (1973).
44. R. Grice, Faraday Discuss. Chem. Soc. 124, 381 (1988).
45. I. Cherchneff and J. R. Barker, Ap.J. 394, 703 (1992); R. Keller and E. Sedlmayr, Mitt. Astron. Ges. 60, 329 (1987); I. Cherchneff, J. R. Barker, and A. G. G. M. Tielens, Ap.J. 377, 541 (1992); M. Frenklach and E. D. Feigelson, ibid. 341, 372 (1989).
46. I. Cherchneff and J. R. Barker, Ap.J. 394, 703 (1992); R. Keller and E. Sedlmayr, Mitt. Astron. Ges. 60, 329 (1987); I. Cherchneff, J. R. Barker, and A. G. G. M. Tielens, Ap.J. 377, 541 (1992); M. Frenklach and E. D. Feigelson, ibid. 341, 372 (1989).
47. I. Cherchneff and J. R. Barker, Ap.J. 394, 703 (1992); R. Keller and E. Sedlmayr, Mitt. Astron. Ges. 60, 329 (1987); I. Cherchneff, J. R. Barker, and A. G. G. M. Tielens, Ap.J. 377, 541 (1992); M. Frenklach and E. D. Feigelson, ibid. 341, 372 (1989).
48. I. Cherchneff and J. R. Barker, Ap.J. 394, 703 (1992); R. Keller and E. Sedlmayr, Mitt. Astron. Ges. 60, 329 (1987); I. Cherchneff, J. R. Barker, and A. G. G. M. Tielens, Ap.J. 377, 541 (1992); M. Frenklach and E. D. Feigelson, ibid. 341, 372 (1989).
49. R. I. Kaiser et al., J. Chem. Phys. 110, 6091 (1999).
50. D. W. Clarke and J. P. Ferris, Origins Life Evol. Biosphere 27, 225 (1997); ESA Special Publication SP-338 Symposium on Titan (1992).
51. D. W. Clarke and J. P. Ferris, Origins Life Evol. Biosphere 27, 225 (1997); ESA Special Publication SP-338 Symposium on Titan (1992).
52. B. Letoumeur and A. Coustenis. Planet. Space Sci. 41, 393 (1993).
53. F. Raulin et al., Adv. Space Res. 22, 353 (1998).
54. D. W. Clarke and J. P. Ferris, Icarus 115, 119 (1995); 115, 119 (1995).
55. D. W. Clarke and J. P. Ferris, Icarus 115, 119 (1995); 115, 119 (1995).