Estimation of dissociation energies of C - H bonds in oxygen-containing compounds from kinetic data for radical abstraction reactions

Russian Chemical Bulletin

Volumn 51, Issue 9, 2002, Pages 1641-1650

  Tumanov, V E ^a   Kromkin, E A ^a   Denisov, E T ^a  

^a INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

Activation energy; Bond dissociation energy; Enthalpy of formation; Oxygen containing compounds; Parabolic model of transition state; Radicals; Reaction rate constants

Indexed keywords

CARBON; FREE RADICAL; FUNCTIONAL GROUP; HYDROGEN;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; DISSOCIATION; ENTHALPY; HYDROGEN BOND; KINETICS; METHODOLOGY;

EID: 0036451484     PISSN: 10665285     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1021335001753     Document Type: Article

References (48)

1. W. Tsang, in Energetics of Free Radicals, Eds. A. Greenberg and J. Liebman, Blackie Academic and Professional, New York, 1996, 22.
2. E. T. Denisov and T. G. Denisova, Handbook of Antioxidants, CRC Press, Boca Raton - New York, 2000, 289 pp.
3. S. G. Lias, J. F. Liebman, R. D. Levin, S. A. Kafafi, and E. Stein, NIST Standard Reference Database 19A. Positive Ion Energetics, Ver. 2.02, NIST Standard Reference Data, Gaithersburg, MD, 1994.
4. V. E. Tumanov and E. T. Denisov, Zh. Fiz. Khim., 1996, 69, 1572 [Russ. J. Phys. Chem., 1995, 69 (Engl. Transl.)].
5. V. E. Tumanov and E. T. Denisov, Zh. Fiz. Khim., 1996, 69, 1572 [Russ. J. Phys. Chem., 1995, 69 (Engl. Transl.)].
6. E. T. Denisov, V. E. Tumanov, T. G. Denisova, T. I. Drozdova, and T. S. Pokidova, Realizatsiya Banka kineticheskikh konstant radikal'nykh zhidkofaznykh reaktsii na IBM PC [IBM PC Realization of the Bank of Kinetic Constants of Radical Liquid Phase Reactions], Preprint, Institute of Chemical Physics, RAS, Chernogolovka, 1992, 58 pp. (in Russian).
7. E. T. Denisov, Usp. Khim., 1997, 66, 953 [Russ. Chem. Rev., 1997, 66, 859 (Engl. Transl.)].
8. E. T. Denisov, Usp. Khim., 1997, 66, 953 [Russ. Chem. Rev., 1997, 66, 859 (Engl. Transl.)].
9. E. A. Kromkin and V. E. Tumanov, Bashkir. Khim. Zh. [Bashkirian Chem. J.], 2001, 8, 32 (in Russian).
10. R. A. Witter and P. Neta, J. Org. Chem., 1973, 38, 484.
11. O. Dobis, I. Nemes, and R. Kerepes, Acta Chim. Acad. Sci. Hung., 1968, 55, 215.
12. N. L. Budeiko, Ph. D. (Chem.) Thesis, Institute of General and Inorganic Chemistry, Academy of Sciences of Belorussian SSR, Minsk, 1978, 148 pp. (in Russian).
13. B. C. Gilbert, R. O. C. Norman, G. Placucci, and R. C. Sealy, J. Chem. Soc., Perkin Trans. 2, 1975, 9, 885.
14. V. E. Agabekov, Doct. Sci. (Chem.) Thesis, Institute of Chemical Physics (Branch), Academy of Sciences of USSR, Chernogolovka, 1980, 260 pp. (in Russian).
15. P. Neta, R. W. Fessenden, and R. H. Schuler, J. Phys. Chem., 1971, 75, 1654.
16. P. Neta, G. R. Holdren, and R. H. Schuler, J. Phys. Chem., 1971, 75, 449.
17. Comprehensive Chemical Kinetics, Elsevier, 1976, 14A, 594 pp.
18. D. F. DeTar and D. V. Wells, J. Am. Chem. Soc., 1960, 8, 5839.
19. V. E. Tumanov and E. T. Denisov, Neftekhimiya, 2001, 41, 108 [Petrol. Chem., 2001, 41, 93 (Engl. Transl.)].
20. V. E. Tumanov and E. T. Denisov, Neftekhimiya, 2001, 41, 108 [Petrol. Chem., 2001, 41, 93 (Engl. Transl.)].
21. T. J. Hardwick, J. Phys. Chem., 1962, 66, 117.
22. R. F. Bridger and G. A. J. Russell, J. Am. Chem. Soc., 1963, 85, 3754.
23. I. V. Berezin, V. L. Ivanov, M. F. Kazanskaya, and N. N. Ugarova, Zh. Fiz. Khim., 1965, 39, 3011 [J. Phys. Chem. USSR, 1965, 39 (Engl. Transl.)].
24. I. V. Berezin, V. L. Ivanov, M. F. Kazanskaya, and N. N. Ugarova, Zh. Fiz. Khim., 1965, 39, 3011 [J. Phys. Chem. USSR, 1965, 39 (Engl. Transl.)].
25. R. Atkinson, D. L. Baulch, R. A. Cox, R.F. Hampson, Jr., J. A. Kerr, M. J. Rossi, and J. Troe, J. Phys. Chem. Ref. Data., 1997, 26, 1009.
26. J. K. Kochi and R. V. Subramanian, J. Am. Chem. Soc., 1965, 87, 4855.
27. G. V. Buxton, C. L. Greenstock, W. P. Helman, and A. B. Ross, J. Phys. Chem. Ref. Data, 1988, 17, 513.
28. M. V. Bazilevskii and N. I. Piskun, Zh. Fiz. Khim., 1965, 39, 951 [J. Phys. Chem. USSR, 1965, 39 (Engl. Transl.)].
29. M. V. Bazilevskii and N. I. Piskun, Zh. Fiz. Khim., 1965, 39, 951 [J. Phys. Chem. USSR, 1965, 39 (Engl. Transl.)].
30. K. H. Lee, Tetrahedron, 1968, 24, 4793.
31. R. Koster and K.-D. Asmus, Z. Naturforsch., B, 1971, 26, 1104.
32. W. A. Pryor and M. G. Griffith, J. Am. Chem. Soc., 1971, 93, 1408.
33. W. A. Pryor and J. P. Stanley, J. Am. Chem. Soc., 1971, 93, 1412.
34. D. A. Rakhmankulov, R. A. Karakhanov, S. S. Zlotskii, U. B. Imashev, E. A. Kantor, and A. M. Syrkin, in Itogi nauki i tekhniki, Ser. Tekhnologiya organicheskikh veshchestv [Advances in Science and Technology, Ser. Technology of Organic Substances], VINITI, Moscow, 1983, 7, 94 (in Russian).
35. D. A. Rakhmankulov, R. A. Karakhanov, S. S. Zlotskii, E. A. Kantor, U. B. Imashev, and A. M. Syrkin, in Itogi nauki i tekhniki, Ser. Tekhnologiya organicheskikh veshchestv [Advances in Science and Technology. Ser. Technology of Organic Substances], VINITI, Moscow, 1979, 5, 288 pp. (in Russian).
36. J. A. Howard and K. U. Ingold, Can. J. Chem., 1969, 47, 3809.
37. J. C. Scaiano and L. C. Stewart, J. Am. Chem. Soc., 1983, 105, 3609.
38. K. Munger and H. Fisher, Int. J. Chem. Kinet., 1985, 17, 809.
39. V. V. Zorin, N. A. Batyarbaev, S. S. Zlotskii, and D. L. Rakhmankulov, Khim. Fiz., 1983, 2, 1231 [Chem. Phys. Reports, 1983, 2 (Engl. Transl.)].
40. V. V. Zorin, N. A. Batyarbaev, S. S. Zlotskii, and D. L. Rakhmankulov, Khim. Fiz., 1983, 2, 1231 [Chem. Phys. Reports, 1983, 2 (Engl. Transl.)].
41. M. V. Musal'yan, V. A. Mardoyan, and L. A. Tavardyan, Arm. Khim. Zh. [Armenian Chem. J.], 1990, 43, 495 (in Russian).
42. R. L. Huang and K. H. Lee, J. Chem. Soc., 1964, 8, 5963.
43. R. L. Huang and K. H. Lee, J. Chem. Soc., C, 1966, 10, 932.
44. E. P. Chang, R. L. Huang, and K. H. Lee, J. Chem. Soc. B, 1969, 7, 878.
45. T. G. Denisova and E. T. Denisov, Kinet. Katal., 1994, 35, 338 [Kinet. Catal., 1994, 35, 305 (Engl. Transl.)].
46. T. G. Denisova and E. T. Denisov, Kinet. Katal., 1994, 35, 338 [Kinet. Catal., 1994, 35, 305 (Engl. Transl.)].
47. E. S. Domalski and E. D. Hearing, J. Phys. Chem. Ref. Data, 1993, 22, 805.
48. W. G. Mallard, F. Westley, J. T. Herron, and R. F. Hampson, NIST Chemical Kinetics Database, Ver. 6.0, NIST Standard Reference Data, Gaithersburg, MD, 1994.