C2 H + H2 CO: A new route for formaldehyde removal

Journal of Chemical Physics

Volumn 122, Issue 20, 2005, Pages

  Dong, Hao ^a   Ding, Yi Hong ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ETHYNYL RADICALS; FORMYL RADICALS; PROPYNAL; TRANSITION STATES;

ACETYLENE; COMPLEXATION; DISSOCIATION; FREE RADICALS; GEOMETRY; ISOMERS; MOLECULAR VIBRATIONS;

FORMALDEHYDE;

EID: 20844454965     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1903945     Document Type: Article

References (74)

1. E. S. Yeung and C. B. Moore, J. Chem. Phys. 58, 3988 (1973).
2. P. L. Houston and C. B. Moore, J. Chem. Phys. 65, 757 (1976).
3. K. Shibuya, R. A. Harger, and E. K. C. Lee, J. Chem. Phys. 69, 751 (1978).
4. M.-C. Chuang, M. F. Foltz, and C. B. Moore, J. Chem. Phys. 87, 3855 (1987).
5. M. R. J. Hachey, P. J. Bruna, and F. Grein, J. Phys. Chem. 99, 8050 (1995).
6. A. C. Terentis and S. H. Kable, Chem. Phys. Lett. 258, 626 (1996).
7. R. Klein and L. J. Schoen, J. Chem. Phys. 24, 1094 (1956).
8. E. W. Abrahamson, J. G. F. Littler, and K.-P. Vo, J. Chem. Phys. 44, 4082 (1966).
9. H. P. Sperling and S. Toby, Can. J. Chem. 51, 471 (1973).
10. R. S. Lewis, K. Y. Tang, and E. K. C. Lee, J. Chem. Phys. 65, 2910 (1976).
11. R. S. Lewis and E. K. C. Lee, J. Phys. Chem. 82, 249 (1978).
12. M. F. Dulligan, M. F. Tuchler, J. Zhang, A. Kolessov, and C. Wittig, Chem. Phys. Lett. 276, 84 (1997).
13. L. R. Valachovic, M. F. Tuchler, M. Mulligan, T. Droz-Georget, M. Zyrianov, A. Kolessov, H. Reisler, and C. Wittig, J. Chem. Phys. 112, 2572 (2000).
14. G. D. Smith, L. T. Molina, and M. J. Molina, J. Phys. Chem. A 106, 1233 (2002).
15. D. M. Hayes and K. Morokuma, Chem. Phys. Lett. 12, 539 (1972).
16. G. M. Scuseria and H. F. Schaefer III, J. Chem. Phys. 90, 3629 (1989).
17. P. J. Bruna, M. R. J. Hachey, and F. Grein, J. Mol. Struct.: THEOCHEM 400, 177 (1997).
18. J. E. D. Bene, S. R. Gwaltney, and R. J. Bartlett, J. Phys. Chem. A 102, 5124 (1998).
19. L. M. N. de A. Martins, G. Arbilla, and E. C. da. Silva, J. Phys. Chem. A 102, 10805 (1998).
20. X. Zhang, S. Zou, L. B. Harding, and J. M. Bowman, J. Phys. Chem. A 108, 8980 (2004).
21. A. Barbe, P. Marche, C. Secroun, and P. Jouve, Geophys. Res. Lett. 6, 463 (1979).
22. (a) C. Oehlers, H. Gg. Wagner, H. Ziemer, F. Temps, and S. Dobe, J. Phys. Chem. A 1089-5639 10.1021/jp0012496 104, 10500 (2000); (b) The experimentally determined C-H bond energy (86.57 kcalmol) of H2 CO is much smaller than those of normal C-H bonds, e.g., 131.3 kcalmol (H- C2 H), 124.8 kcalmol (H-CN), and also smaller than other R-H bonds, e.g., 118.08 kcalmol (H-OH), 106.7 kcalmol (H-N H2). See J. Berkowitz, G. B. Ellison, and D. Gutman, J. Phys. Chem. 98, 2744 (1994).
23. (a) C. Oehlers, H. Gg. Wagner, H. Ziemer, F. Temps, and S. Dobe, J. Phys. Chem. A 1089-5639 10.1021/jp0012496 104, 10500 (2000); (b) The experimentally determined C-H bond energy (86.57 kcalmol) of H2 CO is much smaller than those of normal C-H bonds, e.g., 131.3 kcalmol (H- C2 H), 124.8 kcalmol (H-CN), and also smaller than other R-H bonds, e.g., 118.08 kcalmol (H-OH), 106.7 kcalmol (H-N H2). See J. Berkowitz, G. B. Ellison, and D. Gutman, J. Phys. Chem. 98, 2744 (1994).
24. J. S. Chang and J. R. Barker, J. Phys. Chem. 83, 3059 (1979).
25. R. A. Ferrieri and A. P. Wolf, J. Phys. Chem. 96, 7164 (1992).
26. J. A. Beukes, B. D'Anna, V. Bakken, and C. J. Nielsen, Phys. Chem. Chem. Phys. 2, 4049 (2000).
27. K. L. Feilberg, M. S. Johnson, and C. J. Nielsen, J. Phys. Chem. A 108, 7393 (2004).
28. J. Y. Liu, Z. S. Li, J. Y. Wu, Z. G. Wei, G. Zhang, and C. C. Sun, J. Chem. Phys. 119, 7214 (2003), and references therein.
29. Q. S. Li and R. H. Lu, J. Phys. Chem. A 106, 9446 (2002).
30. N. I. Butkovskaya and D. W. Setser, J. Phys. Chem. A 102, 9715 (1998).
31. J. R. Alvarez-Idaboy, N. Mora-Diez, R. J. Boyd, and A. Vivier-Bunge, J. Am. Chem. Soc. 123, 2018 (2001).
32. B. D'Anna, V. Bakken, J. A. Beukes, C. J. Nielsen, K. Brudnik, and J. T. Jodkowski, Phys. Chem. Chem. Phys. 5, 1790 (2003).
33. I. Barnes, K. H. Becker, E. H. Fink, A. Reimer, F. Zabel, and H. Niki, Chem. Phys. Lett. 115, 1 (1985).
34. F. Zabel, K. A. Sahetchian, and C. Chachaty, Chem. Phys. Lett. 134, 433 (1987).
35. A. A. Jemi-Alade, P. D. Lightfoot, and R. Lesclaux, Chem. Phys. Lett. 195, 25 (1992).
36. S. Pinceloup, G. Laverdet, F. Maguin, J. F. Doussin, P. Carlier, and G. L. Bras, J. Photochem. Photobiol., A 157, 275 (2003).
37. J. C. Hansen, Y. Li, J. S. Francisco, and Z. Li, J. Phys. Chem. A 103, 8543 (1999).
38. W. L. Feng, Y. S. Wang, W. Zhang, and X. Y. Pang, Chem. Phys. Lett. 266, 43 (1997).
39. Y. M. Choi, W. S. Xia, J. Park, and M. C. Lin, J. Phys. Chem. A 104, 7030 (2000).
40. W. S. Xia and M. C. Lin, Phys. Chem. Chem. Phys. 2, 5566 (2000).
41. W. M. Shaub and S. H. Bauer, Combust. Flame 32, 35 (1978).
42. W. Boullart, K. Devriendt, R. Borms, and J. Peeters, J. Phys. Chem. 100, 998 (1996).
43. J. H. Kiefer and W. A. Von Drasek, Int. J. Chem. Kinet. 22, 747 (1990).
44. T. Kruse and P. Roth, J. Phys. Chem. A 101, 2138 (1997).
45. K. D. Tucker, M. L. Kutner, and P. Thaddeus, Astrophys. J. 193, L115 (1974).
46. W. M. Jackson, Y. Bao, and R. S. Urdahl, J. Geophys. Res. 96, 17569 (1991).
47. D. F. Strobel, Planet. Space Sci. 30, 839 (1982).
48. M. Allen, Y. L. Yung, and G. R. Gladstone, Icarus 100, 527 (1992).
49. H. V. Look and J. Peeters, J. Phys. Chem. 99, 16284 (1995).
50. J. Peeters, H. V. Look, and B. Ceursters, J. Phys. Chem. 100, 15124 (1996).
51. B. J. Opansky and S. R. Leone, J. Phys. Chem. 100, 19904 (1996).
52. R. J. Hoobler, B. J. Opansky, and S. R. Leone, J. Phys. Chem. A 101, 1338 (1997).
53. R. J. Hoobler and S. R. Leone, J. Phys. Chem. A 103, 1342 (1999).
54. H. Su, J. Yang, Y. Ding, W. Feng, and F. Kong, Chem. Phys. Lett. 326, 73 (2000).
55. B. Nizamov and S. R. Leone, J. Phys. Chem. A 108, 1746 (2004).
56. S. A. Carl, R. M. I. Elsamra, R. M. Kulkarni, H. M. T. Nguyen, and J. Peeters, J. Phys. Chem. A 108, 3695 (2004).
57. B. Nizamov and S. R. Leone, J. Phys. Chem. A 108, 3766 (2004).
58. B. Ceursters, H. M. T. Nguyen, M. T. Nguyen, J. Peeters, and L. Vereecken, Phys. Chem. Chem. Phys. 3, 3070 (2001).
59. B. Ceursters, H. M. T. Nguyen, J. Peeters, M. T. Nguyen, Chem. Phys. 262, 243 (2000).
60. B. Ceursters, H. M. T. Nguyen, J. Peeters, and M. T. Nguyen, Chem. Phys. Lett. 329, 412 (2000).
61. J. Peeters, B. Ceursters, H. M. T. Nguyen, and M. T. Nguyen, J. Chem. Phys. 116, 3700 (2002).
62. S. A. Carl, H. M. T. Nguyen, M. T. Nguyen, and J. Peeters, J. Chem. Phys. 118, 10996 (2003).
63. D. Sengupta, J. Peeters, and M. T. Nguyen, Chem. Phys. Lett. 283, 91 (1998).
64. Y. H. Ding, X. Zhang, Z. S. Li, X. R. Huang, and C. C. Sun, J. Phys. Chem. A 105, 8206 (2001).
65. F. Stahl, P. von R.Schleyer, H. F. Bettinger, R. I. Kaiser, Y. T. Lee, and H. F. Schaefer III, J. Chem. Phys. 114, 3476 (2001).
66. H. M. T. Nguyen, S. A. Carl, J. Peeters, and M. T. Nguyen, Phys. Chem. Chem. Phys. 6, 4111 (2004).
67. L. Li, P. Deng, A. Tian, M. Xu, and N.-B. Wong, J. Phys. Chem. A 108, 4428 (2004).
68. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 98, Revision A.11, Gaussian, Inc., Pittsburgh, PA, 2001.
69. Other materials including the energetics of the fragments, termediates and transition states, the harmonic vibrational frequencies of the intermediates and the structural parameters of the other isomers and transition states can be available upon request.
70. E. Herbst, D. Smith, and N. G. Adams, Astron. Astrophys. 138, L13 (1984).
71. S. Petrie, R. P. A. Bettens, C. G. Freeman, and M. J. McEwan, J. Phys. Chem. 97, 13673 (1993).
72. R. G. A. R. Maclagan, M. J. McEwan, and G. B. Scott, Chem. Phys. Lett. 240, 185 (1995).
73. S. Petrie, Astrophys. J. 454, L165 (1995).
74. S. Ekern, J. Szczepanski, and M. Vala, J. Phys. Chem. 100, 16109 (1996).