Direct time-resolved study of the kinetics of the reaction of silylene with phenylsilane in the gas phase. Does SiH2 react with the aromatic ring?

Organometallics

Volumn 28, Issue 21, 2009, Pages 6339-6346

  Becerra, Rosa ^a   Pat Cannady, J ^b   Walsh, Robin ^c  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b DOW CORNING CORPORATION   (United States)

^c UNIVERSITY OF READING   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

193 NM LASER; APPARENT RATE CONSTANT; AROMATIC RINGS; ARRHENIUS EQUATION; BIMOLECULAR REACTION; ENERGY SURFACE; EXPERIMENTAL CONDITIONS; GASPHASE; LASER FLASH PHOTOLYSIS; QUANTUM CHEMICAL CALCULATIONS; RRKM CALCULATIONS; SILYLENES; TEMPERATURE RANGE; TIME RESOLVED STUDIES; TOTAL PRESSURE;

AROMATIC COMPOUNDS; BENZENE; GASES; PHOTOLYSIS; QUANTUM CHEMISTRY; REACTION KINETICS; SILANES; THERMAL LOGGING;

RATE CONSTANTS;

EID: 70350719250     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om900712w     Document Type: Article

References (37)

1. Gaspar, P. P.; West R. Silylenes. In The Chemistry of Organosilicon Compounds; Rappoport, Z., Apeloig, Y., Eds.; Wiley; Chichester, 1998; Vol.2, Chapter 43, p 2463.
2. Ho, P.; W. G. Breiland, W. G. Appl. Phys. Lett. 1983, 43, 125, and references cited therein.
3. Jasinski, J. M.; Becerra, R.; Walsh, R. Chem. Rev. 1995, 95, 1203.
4. Becerra, R.; Walsh, R. Kinetics and Mechanisms of Silylene reactions: a Prototype for Gas-phase Acid/base Chemistry. In Research in Chemical Kinetics; Compton, R. G., Hancock, G., Eds.; Elsevier; Amsterdam, 1995; Vol. 3, Chapter 6, p 263.
5. Safarik, J.; Sandhu, V.; Lown, E. M.; Strausz, O. P.; Bell, T. N. Res. Chem. Int. 1990, 14, 105.
6. Becerra, R.; Walsh, R. Phys. Chem. Chem. Phys. 2007, 9, 2817.
7. Many of these studies are cited in refs 3, 4, and 6.
8. Baggott, J. E.; Frey, H. M.; Lightfoot, P. D.; Walsh, R. Chem. Phys. Lett. 1986, 125, 22.
9. Suzuki, H.; Tokitoh, N.; Okazaki, R. J. Am. Chem. Soc. 1994, 116, 11572.
10. Baggott, J. E.; Frey, H. M.; King, K. D.; Lightfoot, P. D.; Walsh, R.; Watts, I. M. J. Phys. Chem. 1988, 92, 4025.
11. Becerra, R.; Frey, H. M.; Mason, B. P.; Walsh, R.; Gordon, M. S. J. Chem. Soc, Faraday Trans. 1995, 91, 2723.
12. Jasinski, J. M.; Chu, J. O. J. Chem. Phys. 1988, 88, 1678.
13. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, Jr., J. A.; Stratmann, R. F.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; B. Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, R.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzales, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian Inc.: Pittsburgh, PA, 1998.
14. Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 1164.
15. Gonzales, C.; Schlegel, H. B. J. Chem. Phys. 1989, 90, 2154.
16. Pople, J. A.; Scott, A. P.; Wong, M. W.; Radom, L. Isr. J. Chem. 1993, 33, 345.
17. Becerra, R.; Carpenter, I. W.; Gordon, M. S.; Roskop, L.; Walsh, R. Phys. Chem. Chem. Phys. 2007, 9, 2121.
18. Calvert, J. G.; Pitts, J. N., Jr. Photochemistry; Wiley; New York, 1966.
19. Becerra, R.; Cannady, J. P.; Walsh, R. J. Phys. Chem. A 2006, 110, 6680.
20. Becerra, R.; Cannady, J. P.; Walsh, R. Silicon Chemistry 2007, 3, 131.
21. Anwari, F.; Gordon, M. S. Isr. J Chem. 1983, 23,129.
22. Skancke, P. N.; Hrovat, D. A.; Borden, W. T. J. Phys. Chem. A 1999, 103, 4043.
23. Becerra, R.; Cannady, J. P.; Dormer, G.; Walsh, R. J. Phys. Chem. A 2008, 112, 8665.
24. Kislov, V. V.; Nguyen, T. L.; Mebel, A. M.; Lin, S. H.; Smith, S. C. J. Chem. Phys. 2004, 120, 7008 and references cited therein.
25. Yokoyama, A.; Zhao, X.; Hintsa, E. J.; Continetti, R. E.; Lee, Y. T. J. Chem. Phys. 1990, 92, 4222.
26. Tsai, S.-T.; Lin, C.-K.; Lee, Y. T.; Ni, C.-K. J. Chem. Phys. 2000, 115, 67.
27. Tsai, S.-T.; Huang, C.-L.; Lee, Y. T.; Ni, C.-K. J. Chem. Phys. 2001, 115, 2449.
28. Holbrook, K. A.; Pilling, M. J.; Robertson, S. H. Unimolecular Reactions, 2nd ed.; Wiley: Chichester, 1996.
29. -1. Values will be highly pressure dependent.
30. Kira, M.; Ishida, S.; Iwamoto, T.; Kabuto, C. J. Am. Chem. Soc. 2002, 124, 3830.
31. Boatz, J. A.; Gordon, M. S. J. Phys. Chem. 1989, 93, 3025.
32. Horner, D. A.; Grev, R. S.; Schaefer, H. F.III. J. Am. Chem. Soc. 1992, 114, 2093.
33. Sengupta, D.; Nguyen, M. T. Mol. Phys. 1996, 89, 1567.
34. Skancke, P. N.; Hrovat, D. A.; Borden, W. T. J. Am. Chem. Soc. 1997, 119, 8012.
35. For a comparison of calculated enthalpy values for silirane formation and also for germirane formation, see ref 36.
36. Becerra, R.; Boganov, S. E.; Egorov, M. P.; Faustov, V. I.; Promyslov, V. M.; Nefedov, O. M.; Walsh, R. Phys. Chem. Chem.Phys. 2002, 4, 5079.
37. See, e.g.: Solomons, T. W. G.; Fryhle, C. B. Organic Chemistry, 8th ed.; J. Wiley and Sons: New York, 2004; Chapter 14.