Kinetic parameters of abstraction reactions of OH radical with ethylene, fluoroethylene, cis- and trans-1,2-difluoroethylene and 1,1-difluoroethylene, in the temperature range of 200-400 K: Gaussian-3/B3LYP theory

Chemical Physics Letters

Volumn 511, Issue 4-6, 2011, Pages 440-446

  Ali, Mohamad Akbar ^a   Upendra, B ^a   Rajakumar, B ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY MADRAS   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTION REACTIONS; ATMOSPHERIC LIFETIME; FLUOROETHYLENE; HYDROGEN ABSTRACTION REACTION; OH RADICAL; RATE COEFFICIENTS; TEMPERATURE RANGE; TEST MOLECULES; TRANS-ISOMERS; TRANSITION STATE;

ETHYLENE; FREE RADICALS; HYDROGEN; ISOMERS;

ABSTRACTING;

EID: 79960917665     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.06.042     Document Type: Article

References (31)

1. IPCC/TEAP Special Report: Safeguarding the Ozone Layer and the Global Climate System: Issues Related to Hydrofluorocarbons and Perfluorocarbons Institution; Cambridge University Press: 2005.
2. S. Solomon, D. Qin, M. Manning, M. Marquis, K. Averyt, M.M.B. Tignor, H.L. Miller Jr., Z. Chen, IPCC Contribution of Working Group 1 to the Fourth Assessment Report of the Intergo Vernmental Panel on Climate Change Institution, Cambridge University Press, 2007.
3. Kyoto Protocol to the United Nations Framework Convention on Climate Change, UNFCCC, 1997.
4. J. Warnatz, and C. Chevalier W.C. Gardiner, Combustion Chemistry second Edn. 1995 Springer Heidelberg
5. R.P. Wayne Chemistry of the Atmospheres, second ed. 1994 Oxford University Press Oxford
6. D. Fulle, H.F. Hamann, H. Hippler, and C.P. Jansch Ber. Bunsen. Phys. Chem. 101 1997 1433
7. E.W.G. Diau, and Y.P. Lee J. Chem. Phys. 96 1992 377
8. C.H. Kuo, and Y.P. Lee J. Phys. Chem. 95 1991 1253
9. A. Liu, W.A. Mulac, and C.D. Jonah J. Phys. Chem. 92 1988 3828
10. A.D. Becke J. Chem. Phys. 104 1996 1040
11. A.D. Becke J. Chem. Phys. 82 1993 1372
12. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
13. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch J. Phys. Chem. 98 1994 11623
14. M.M. Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. Defrees, and J.A. Pople J. Chem. Phys. 77 1982 3654
15. M.J. Frisch, J.A. Pople, and J.S. Binkley J. Chem. Phys. 80 1989 3265
16. A.G. Baboul, L.A. Curtiss, P.C. Redfern, and K. Raghavachari J. Chem. Phys. 110 1999 7650
17. C. Eckart Phys. Rev. 36 1930 1303
18. H.S. Johnston, and J. Heicklen J. Phys. Chem. 66 1962 532
19. M.A. Ali, and B. Rajakumar J. Comp. Chem. 31 2010 500
20. M.A. Ali, and B. Rajakumar J. Mol. Struct.: THEOCHEM 949 2010 73
21. V. Kaliginedi, M.A. Ali, B. Rajakumar, Int. J. Quantum Chem., 2011, doi:10.1002/qua.23075.
22. M.A. Ali, B. Rajakumar, Int. J. Chem. Kinetic, 2011, doi:10.1002/kin. 20569.
23. M.J. Frisch Gaussian03, revision B.04 2003 Gaussian Inc Pittsburgh, PA.
24. M.R. Wright Fundamental Chemical Kinetics and Exploratory Introduction to the concepts 1999 Ellis Horwood Chichester
25. T. Ogura, A. Miyoshi, and M. Koshi Phys. Chem. Chem. Phys. 9 2007 5133
26. G. Herzberg Molecular Spectra and Molecular Structure I. Spectra of Diatomic Molecules second Edn. 1950 Van Nostrand New York
27. B. Rajakumar, R.W. Portman, J.B. Burkholder, and A.R. Ravishankara J. Phys. Chem. A 110 2006 6724
28. F.P. Tully Chem. Phys. Lett. 143 1988 510
29. W. Tsang, and R.F. Hamposon J. Phys. Chem. Ref. Data 15 1986 1087
30. R. Prinn Science 269 1995 187
31. John H. Seinfeld, and Spyros N. Pandis Atmospheric Chemistry and Physics: From Air Pollution to Climate Change 1998 Wiley