Kinetics of the reaction of atomic hydrogen with cyanoacetylene from T = 200 to 298 K

Journal of Physical Chemistry A

Volumn 108, Issue 11, 2004, Pages 1938-1945

  Parker, James K ^a   Payne, Walter A ^a   Cody, Regina J ^a   Stief, Louis J ^a  

^a NASA GODDARD SPACE FLIGHT CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; ATOMS; CALCULATIONS; ELECTRON ENERGY LEVELS; FLUORINE; HYDROGEN; MASS SPECTROMETRY; MOLECULAR DYNAMICS; PRESSURE EFFECTS; THERMAL EFFECTS;

CYANOACETYLENE; DISCHARGE-FLOW MASS SPECTROMETRY; TEMPERATURE DEPENDENCE;

RATE CONSTANTS;

EID: 1642328953     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037142a     Document Type: Article

References (46)

1. Coustenis, A.; Bezard, B.; Grautier, D.; Marten, A. Icarus 1991, 89, 152.
2. Bezard, B.; Marten, A.; Paubert, G. Bull. Am. Astrom. Soc. 1992, 24, 953.
3. Yung, Y. L.; Allen, M.; Pinto, J. P. Astrophys. J., Supp. Ser. 1984, 55, 465.
4. Yung, Y. L. Icarus 1987, 72, 468.
5. Toublanc, D.; Parisot, J. P.; Brillet, D.; Gautier, F.; Raulin, F.; McKay, C. P. Icarus 1995, 113, 2.
6. Lara, L. M.; Lellouch, E.; Lopez-Moreno, J. J.; Rodrigo, R. J. Geophys. Res. 1966, 101, 23261.
7. (a) Seki, K. He, M.; Liu, R.; Okabe, H. J. Phys. Chem. 1996, 100, 5349.
8. (b) Titarchuk, T.; Halpern, J. B. Chem. Phys. Lett. 2000, 323, 305.
9. Lebonnois, S.; Toublanc, D.; Hourdin, F.; Rannou, P. Icarus 2001, 152, 384.
10. Brunning, J.; Stief, L. J. J. Chem. Phys. 1986, 84, 4371.
11. Cody, R. J.; Payne, W. A.; Thorn, R. P.; Nesbitt, F. L.; Iannone, M. A.; Tardy, D. C.; Stief, L. J. J. Phys. Chem. A 2002, 106, 6060.
12. Atkinson, R.; Baulch, D. L.; Cox, R. A.; Crowley, J. N.; Hampson, R. F. Jr.; Kerr, J. A.; Rossi, M. J.; Troe, J. IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry Web Version, http://www.iupac-kinetic.ch.cam.ac.uk/ (Dec 2001), pp 1-56.
13. Nesbitt, F. L.; Cody, R. J.; Dalton, D. A.; Riffault, V.; Bedjanian, Y.; Le Bras, G. J. Phys. Chem. A, in press, 2004.
14. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J.R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J.M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, P.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11; Gaussian, Inc.: Pittsburgh, PA, 1998.
15. Mebel, A. M.; Morokuma, K.; Lin, M. C. J. Chem. Phys. 1995, 103, 7414.
16. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
17. McLean, A. D.; Chandler, G. S. J. Chem. Phys. 1980, 72, 5639.
18. Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
19. Pople, J. A.; Krishnan, R.; Schlegel, H. B.; Binkley, J. S. Int. J. Quantum Chem. 1978, 14, 545.
20. Bartlett, R. J.; Purvis, G. D. Int. J. Quantum Chem. 1978, 14, 545.
21. Cizek, J. Adv. Chem. Phys. 1969, 14, 35.
22. Purvis, G. D.; Bartlett, R. J. J. Chem. Phys. 1982, 76, 1910.
23. Scuseria, G. E.; Janssen, C. L.; Schaefer, H. F., III J. Chem. Phys. 1988, 89, 7382.
24. Scuseria, G. E.; Schaefer, H. F., III J. Chem. Phys. 1989, 90, 3700.
25. Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. v. R. J. Comput. Chem. 1983, 4, 294.
26. Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
27. Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968.
28. (a) Eckart, C. Phys. Rev. 1930, 35, 1303.
29. (b) Johnston, H. S.; Heicklen, J. J. Phys. Chem. 1962, 66, 532.
30. (a) Eyring, H. J. Chem. Phys. 1935, 3, 107.
31. (b) Evans, M. G.; Polanyi, M. Trans. Faraday Soc. 1935, 31, 875.
32. Lewis, R. S.; Sander, S. P.; Wagner, W.; Watson, R. T. J. Phys. Chem. 1980, 84, 2009.
33. Zelenov, V. V.; Kukui, A. S.; Dodonov, A. F.; Aleinikov, N. N.; Kashtanov, S. A.; Turchin, A. V. Khim. Fiz. 1991, 10, 1121.
34. Curtis, A. R.; Sweetenham, W. P. Facsimilie Program, Report R-12805; U. K. Atomic Energy Research Establishment: Harwell, UK, 1987.
35. 3N) is an experimental value from Halpern, J. B.; Miller, G. E.; Okabe, H.; Nottingham, W. J. Photochem. Photobiol. A Chem. 1988, 42, 63.
36. 3) is a calculated value from Nguyen, T. L.; Mebel, A. M.; Kaiser, R. I. J. Phys. Chem. A 2001, 105, 3284.
37. Payne, W. A.; Stief, L. J. J. Chem. Phys. 1976, 64, 1150.
38. (a) Hoyermann, K.; Wagner, H. G.; Wolfrum, J. Ber. Bunsen-Ges. Phys. Chem. 1968, 72, 1004.
39. (b) Sugawara, K.; Okazaki, K.; Sato, S. Bull. Chem. Soc. Jpn. 1981, 54, 2872.
40. (a) Knyazev, V. D.; Slagle, I. R. J. Phys. Chem. 1996, 100, 16899.
41. (b) Michael, J. V.; Su, M.-C.; Sutherland, J. W.; Harding, L. B.; Wagner, A. L. J. Phys. Chem. A 2003, 107, 10533.
42. Troe, J. Ber Bunsen-Ges. Phys. Chem. 1983, 87, 161.
43. Gilbert, R. G.; Luther, K.; Troe, J. Ber. Bunsen-Ges. Phys. Chem. 1983, 87, 169.
44. Lindemann, F. A. Trans. Faraday. Soc. 1922, 17, 598.
45. Holme, T. A.; Hutchinson, J. S. Chem. Phys. 1985, 93, 419.
46. Tyler, J. K.; Sheridan, J. Trans. Faraday Soc. 1963, 59, 2661.