Decomposition, Isomerization, and Ring Expansion in 2-Methylindene: Single-pulse Shock Tube and Modeling Study

Journal of Physical Chemistry A

Volumn 108, Issue 16, 2004, Pages 3430-3438

  Lifshitz, Assa ^a   Tamburu, Carmen ^a   Suslensky, Aya ^a   Dubnikova, Faina ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FREE RADICALS; ISOMERIZATION; LOW TEMPERATURE EFFECTS; PRESSURE EFFECTS; PYROLYSIS; QUANTUM THEORY; RATE CONSTANTS; SHOCK TUBES; THERMODYNAMIC PROPERTIES;

2-METHYLINDENE; ENERGY BARRIERS; QUANTUM CHEMICAL CALCULATIONS; RING EXPANSION;

AROMATIC HYDROCARBONS;

EID: 2342530379     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp031160a     Document Type: Article

References (26)

1. Lifshitz, A.; Shweky, I.; Tamburu, C. J Phys. Chem. 1993, 97, 4442.
2. Doughty, A.; Mackie, J. C.; Bacskay, G. B. Chem. Phys. Lett. 1994, 221, 267.
3. Dubnikova, F.; Lifshitz, A. J. Phys. Chem. A. 2000, 104, 530.
4. Lifshitz, A.; Suslensky, A.; Taraburu, C. J. Phys. Chem. A 2003, 107, 4851.
5. Lifshitz, A.; Suslensky, A.; Tamburu, C., unpublished results (experimental). Dubnikova, F.; Lifshitz, A., unpublished results (quantum chemical calculations).
6. Dubnikova, F.; Lifshitz, A. J. Phys. Chem. A 2002, 106, 8173.
7. Ikeda, E.; Tranter, R. S.; Kiefer, R. D.; Kern, R. D.; Singh, H. J.; Zhang, Q. Proc. Combust. Inst. 2000, 28, 1725.
8. Lifshitz, A.; Suslensky, A.; Tamburu, C., unpublished results (experimental).
9. Dubnikova, F.; Lifshitz, A. Isr. J. Chem., in press.
10. Tsang, W.; Lifshitz, A. Int. J. Chem. Kinet. 1998, 30, 621.
11. Westly, F.; Herron, J. T.; Cvetanovic, R. J.; Hampson, R. F.; Mallard W. G. NIST-Chemical Kinetics Standard Reference Database 17, Version 5.0, National Institute of Standards and Technology: Washington, DC.
12. Stein S. E.; Rukkers J. M.; Brown R. L. NIST-Standard Reference Database 25. National Institute of Standards and Technology: Washington, DC.
13. th Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1998; pp 313-320.
14. Muller-Markgraf, W.; Troe, J. J. Phys. Chem. 1988, 92, 4914.
15. Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, G.; Just, Th.; Kerr, J. A.; Murrells, T.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847-1033.
16. Hsu, D. S. Y.; Lin, C. Y.; Lin, M. C. Proc. Combust. Inst. 1985, 20, 623.
17. Clark, W. D.; Price, S. J. Can. J. Chem. 1970, 48, 1059.
18. Burcat, A.; Dvinyaninov, M. Int. J. Chem. Kinet. 1997, 29, 505-514.
19. Wu, C. H.; Kern, R. D. J. Phys. Chem. 1987, 91, 6291.
20. Tsang, W. Combust. Flame 1989, 78, 71-86.
21. Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Esser, C.; Frank, P.; Just, Th.; Kerr, J. A.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411-429.
22. Warnatz, J. Rate coefficients in the C/H/O system. In Combustion Chemistry; Gardiner, W. C., Jr., Ed.; Springer-Verlag: New York, 1984.
23. Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087.
24. Brand, U.; Hippler, H.; Lindemann, L.; Troe, J. J. Phys. Chem. 1990, 94, 6305.
25. Muller, C.; Warth, V.; Jacquemard, E.; Scacchi, G.; Come, G. M. A FORTRAN computer code package for the evaluation of thermochemical data of molecules, free radicals, and reactions in the gas phase and A. S. T. M. CHETAH safety criteria., 1996.
26. Burcat, A. Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion, Technion Aerospace Engineering (TAE), Report # 867, January 2001.