Theoretical study of reaction mechanism for CH2CHX(X=H, F, Cl) with ozone

International Journal of Quantum Chemistry

Volumn 98, Issue 3, 2004, Pages 309-316

  Li, Lai Cai ^a   Deng, Ping ^a   Xu, Ming Hou ^b   Wong, Ning Bew ^c  

^a SICHUAN NORMAL UNIVERSITY   (China)

^b HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c CITY UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

Activation energy; Ethylene; Reaction channel; Transition states

Indexed keywords

ACTIVATION ENERGY; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; MOLECULAR VIBRATIONS; OPTIMIZATION; OZONE; REACTION KINETICS;

OZONOLYSIS; REACTION CHANNELS; REACTION PATHWAYS; TRANSITION STATES;

ETHYLENE;

EID: 2542488488     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20020     Document Type: Article

References (17)

1. Crigree, R. Rev Chem Prog 1957, 18, 111.
2. Crigree, R. Angew Chem Int Engl Ed 1975, 14, 745.
3. Durham, L. G.; Greewood, F. L. J Org Chem 1968, 33, 1629.
4. Kohlmiller, C. K.; Andrews, L. J Am Chem Soc 1981, 103, 2578.
5. Hiberty, P. C. J Am Chem Soc 1976, 98, 6088.
6. Cremer, D. J Chem Phys 1979, 70, 1898.
7. Cremer, D. J Am Chem Soc 1981, 103, 3619.
8. Cremer, D.; Bock, C. W. J Am Chem Soc 1986, 108, 3375.
9. Gillies, J. Z.; Gillies, C. W.; Suenram, R. D.; Lovas, F. J. J Am Chem Soc 1988, 110, 7991.
10. Mckee, M. L.; Rohlfing, C. M. J Am Chem Soc 1989, 111, 2497.
11. Gillies, J. Z.; Gillies, C. W.; Suenram, R. D.; Lovas, F. J.; Kraka, E.; Cremer, D. J Am Chem Soc 1991, 113, 2412.
12. Peter, N.; Osamu, H.; Geert, K. M. J Phys Chem A 1998, 102, 6778.
13. Andrew, R. R.; David, J.; Charlotte, D. M.; George, M. J Phys Chem A 1999, 103, 7656.
14. Li, L.-C.; Xin, W.; Tian, A.-M. Acta Chim Sin [in Chinese]. 2000. 58, 1099.
15. Li, L.-C.; Zhou, H.-P.; Xin, W.; Tian, A.-M. Acta Chim Sin [in Chinese]. 2001, 59, 321.
16. Li, L.-C.; Xin, W.; Tian, A.-M. Acta Chim Sin [in Chinese]. 2001, 59, 516.
17. Li, L.-C.; Wang, J.; Wang, X.; Tian, A.-M.; Wong, N.-B. J Int Quantum Chem 2002, 87, 288.