A theoretical study on the mechanism of the cycloaddition reaction between dichloroalkylidenesilylene and ethylene

New Journal of Chemistry

Volumn 29, Issue 2, 2005, Pages 332-335

  Lu, Xiuhui ^a   Yu, Haibin ^a   Wu, Weirong ^a  

^a UNIVERSITY OF JINAN   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ETHYLENE; SILANE DERIVATIVE;

ARTICLE; CALCULATION; CONFORMATION; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; ENERGY; ENERGY TRANSFER; GEOMETRY; GEOMETRY OPTIMIZATION; ISOMERIZATION; POTENTIAL ENERGY SURFACE; PREDICTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; REACTION ANALYSIS; SURFACE PROPERTY; VIBRATION; VIBRATIONAL ANALYSIS;

EID: 14644405696     PISSN: 11440546     EISSN: None     Source Type: Journal    
DOI: 10.1039/b410806j     Document Type: Article

References (20)

1. (a) M. Jones, Jr. and R. A. Moss, Reactive Intermediates, Wiley-Interscience, New York, 1978, vol. 1, p. 229;
2. (b) M. Jones, Jr. and R. A. Moss, Reactive Intermediates, Wiley- Interscience, New York, 1981, vol. 2, p. 335;
3. (c) M. Jones, Jr. and R. A. Moss, Reactive Intermediates, Wiley- Interscience, New York, 1985, vol. 3, p. 333.
4. R. A. Abramovitch, Reactive Intermediates, Plenum Press, New York, 1982, vol. 2, p. 297.
5. D. S. Rogers, K. L. Walker, M. A. Ring and H. E. O'Neal, Organometallics, 1987, 6, 2313.
6. J. A. Boatz and M. S. Gordon, J. Phys. Chem., 1989, 93, 3025.
7. D. A. Horner, R. S. Grev and H. F. Schaefer, J. Am. Chem. Soc., 1992, 114, 2093.
8. G. Inoue and M. Suzuki, Chem. Phys. Lett., 1985, 122, 361.
9. A. Al-Rubaiey and R. Walsh, J. Phys. Chem., 1994, 98, 5303.
10. R. Becerra, J. P. Cannady and R. Walsh, J. Phys. Chem. A, 1999, 103, 4457.
11. R. Becerra, J. P. Cannady and R. Walsh, Phys. Chem. Chem. Phys., 2001, 3, 2343.
12. X. H. Lu, Y. X. Wang, C. B. Liu and C. H. Deng, Acta Chim. Sinica, 1998, 56, 1075.
13. X. H. Lu, Y. X. Wang and C. B. Liu, Chem. J. Chim. Univ., 1999, 20, 612.
14. X. H. Lu, Y. X. Wang and C. H. Deng, Acta Phys. Chem. Sinica, 1998, 14, 309.
15. X. H. Lu, Y. X. Wang and C. B. Liu, Chin. J. Chem. Phys., 1999, 12, 460.
16. L. A. Curtis, K. Raghavachari and J. A. Pople, J. Chem. Phys., 1993, 98, 1293.
17. A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
18. C. Lee, W. Yang and R. G. Parr, Phys. Rev. B, 1988, 37, 785.
19. K. Fukui, J. Phys. Chem., 1970, 74, 4161.
20. K. Ishida, K. Morokuma and A. Komornicki, J. Chem. Phys., 1981, 66, 2153.