The gas-phase reaction between silylene and 2-butyne: Kinetics, isotope studies, pressure dependence studies and quantum chemical calculations

Physical Chemistry Chemical Physics

Volumn 11, Issue 26, 2009, Pages 5331-5344

  Becerra, Rosa ^a   Cannady, J Pat ^b   Dormer, Guy ^c   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

BUTANE; ETHYLENE; ETHYLENE DERIVATIVE; SILANE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; GAS; KINETICS; PHASE TRANSITION; PRESSURE; QUANTUM THEORY;

BUTANES; ETHYLENES; GASES; KINETICS; MOLECULAR STRUCTURE; PHASE TRANSITION; PRESSURE; QUANTUM THEORY; SILANES;

EID: 70349246762     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b823109e     Document Type: Article

References (40)

1. J. M. Jasinski R. Becerra R. Walsh Chem. Rev. 1995 95 1203
2. R. Becerra and R. Walsh, in Research in Chemical Kinetics, ed., R. G. Compton, and, G. M. Hancock, Elsevier, Amsterdam, 1995, vol. 3, p. 263
3. R. Becerra R. Walsh Phys. Chem. Chem. Phys. 2007 9 2817
4. P. P. Gaspar and R. West, in The Chemistry of Organosilicon Compounds, ed., Z. Rappoport, and, Y. Apeloig, Wiley, Chichester, 1998, vol. 2, ch. 43, p. 2463
5. R. Becerra J. P. Cannady G. Dormer R. Walsh J. Phys. Chem. A 2008 112 8665
6. R. Becerra R. Walsh Int. J. Chem. Kinet. 1994 26 45
7. R. Becerra H. M. Frey B. P. Mason R. Walsh J. Chem. Soc., Chem. Commun. 1993 1050
8. K. A. Holbrook, M. J. Pilling and S. H. Robertson, Unimolecular Reactions, Wiley, Chichester, 2nd edn, 1996
9. R. Becerra H. M. Frey B. P. Mason R. Walsh M. S. Gordon J. Chem. Soc., Faraday Trans. 1995 91 2723
10. J. E. Baggott H. M. Frey K. D. King P. D. Lightfoot R. Walsh I. M. Watts J. Phys. Chem. 1988 92 4025
11. J. M. Jasinski J. O. Chu J. Chem. Phys. 1988 88 1678
12. B. P. Mason H. M. Frey R. Walsh J. Chem. Soc., Faraday Trans. 1993 89 4405
13. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A9), Gaussian, Inc., Pittsburgh, PA, 1998
14. L. A. Curtiss K. Raghavachari P. C. Redfern V. Rassolov J. A. Pople J. Chem. Phys. 1998 109 7764
15. A. G. Baboul L. A. Curtiss P. C. Redfern K. Raghavachari J. Chem. Phys. 1999 110 7650
16. C. Gonzales H. B. Schlegel J. Chem. Phys. 1989 90 2154
17. J. A. Pople A. P. Scott M. W. Wong L. Radom Isr. J. Chem. 1993 33 345
18. L. A. Curtiss P. C. Redfern K. Raghavachari V. Rassolov J. A. Pople J. Chem. Phys. 1999 110 4703
19. M. R. Nyden G. A. Petersson J. Chem. Phys. 1981 75 1843
20. G. A. Petersson M. A. Al-Laham J. Chem. Phys. 1991 94 6081
21. G. A. Petersson T. Tensfeldt J. A. Montgomery J. Chem. Phys. 1991 94 6091
22. J. A. Montgomery J. W. Ochterski G. A. Petersson J. Chem. Phys. 1994 101 5900
23. J. E. Baggott M. A. Blitz H. M. Frey P. D. Lightfoot R. Walsh J. Chem. Soc., Faraday Trans. 2 1988 84 515
24. R. Becerra and R. Walsh, Thermochemistry, in The Chemistry of Organic Silicon Compounds, ed., Z. Rappoport, and, Y. Apeloig, Wiley, Chichester, 1998, vol. 2, ch. 4, p. 153
25. 2-group migration. The initial step via TS1 is rate-determining in this sequence and the details were not further investigated here
26. S. W. Benson, Thermochemical Kinetics, Wiley, New York, 2nd edn, 1976
27. H. Hippler and J. Troe, in Advances in Gas Phase Photochemistry and Kinetics, ed., M. N. R. Ashfold, and, J. E. Baggott, Royal Society of Chemistry, London, 1989, vol. 2, ch. 5, p. 209
28. R. Becerra R. Walsh J. Organomet. Chem. 2001 636 49
29. N. Al-Rubaiey R. Walsh J. Phys. Chem. 1994 98 5303
30. N. Al-Rubaiey I. W. Carpenter R. Walsh R. Becerra M. S. Gordon J. Phys. Chem. A 1998 102 8564
31. S. W. Benson F. R. Cruickshank D. M. Golden G. R. Haugen H. E. O'Neal A. S. Rodgers R. Shaw R. Walsh Chem. Rev. 1969 69 279
32. T. J. Barton G. T. Burns Organometallics 1983 2 1
33. A. P. Dickinson H. E. O'Neal M. A. Ring Organometallics 1991 10 3513
34. T. J. Barton N. Tillman J. Am. Chem. Soc. 1987 109 6711
35. I. M. T. Davidson J. Organomet. Chem. 1992 437 1
36. N. Al-Rubaiey R. Becerra R. Walsh Phys. Chem. Chem. Phys. 2002 4 5072
37. P. P. Gaspar, Silylenes, in Reactive intermediates, ed., M. Jones Jr., and, R. A. Moss, Wiley, New York, USA, 1978, vol. 1, pp. 229-277
38. R. T. Conlin P. P. Gaspar J. Am. Chem. Soc. 1976 98 3715
39. D. Seyferth D. C. Annarelli S. C. Vick J. Am. Chem. Soc. 1976 98 6382
40. D. Seyferth D. C. Annarelli S. C. Vick J. Organomet. Chem. 1984 272 123