Crossed-beam reaction of boron atoms, B (2Pj), with dimethylacetylene, CH3CCCH3 (X1A1g): Untangling the reaction dynamics to form the 1,2-dimethylene-3-bora-cyclopropane molecule

Journal of Physical Chemistry A

Volumn 107, Issue 26, 2003, Pages 5149-5156

  Sillars, D ^a   Kaiser, R I ^a   Galland, N ^b,c   Hannachi, Y ^b  

^a UNIVERSITY OF HAWAII   (United States)

^b CNRS   (France)

^c KING'S COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; ATOMS; ETHYLENE; GROUND STATE; HYDROGEN BONDS; ISOMERS; MOLECULAR BEAMS; PHASE TRANSITIONS; SEMICONDUCTING BORON;

DIMETHYLACETYLENE; DIMETHYLBORACYCLOPROPANE; POTENTIAL ENERGY SURFACE;

MOLECULAR DYNAMICS;

EID: 0038148306     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022469h     Document Type: Article

References (53)

1. Taniguchi, T.; Tanaka, J.; Mishima, O.; Ohsawa, T.; and others. Appl. Phys. Lett. 1993, 62, 576.
2. Sugino, T.; Tai, T.; Etou, Y. Diamond and Related Materials 2001, 10, 1375.
3. Zhdankin, V. V.; Persichini, P. J.; Zhang, L.; Fix, S.; and others. Tetrahedron Lett. 1999, 40, 6705.
4. Foelsche, R. O.; Burton, R. L.; Krier, H. Combust. Flame 1999, 117, 32.
5. Aoyama, T.; et al. J. Electrochem. Soc. 1998, 145, 689.
6. Albert, B.; Schmitt, K. Inorg. Chem. 1999, 38, 6159.
7. Liu, C. H. Mater. Lett. 2001, 49, 308.
8. Albrecht, K.; et al. J. Chem. Soc., Perkin Trans. 2 2000, 10, 2153.
9. Brown, H. C.; Blue, C. D.; Nelson, D. J.; Bhat, N. G. J. Org. Chem. 1989, 54, 6064.
10. Brown, H. C.; Vasumathi, N.; Joshi, N. N. Organometallics 1993, 12, 1058.
11. Ueda, M.; Saitoh, A.; Miyaura, N. J. Organomet. Chem. 2002, 642, 145.
12. Ollivier, C.; Renaud, P. Chem. Rev. 2001, 101, 3415.
13. Pokidova, T. S.; Denisov, E. T. Russ. Chem. Bull. 2001, 50, 390.
14. Cadot, C.; Cossv, J.; Dalko, P. I. Chem. Commun. 2000, 12, 1017.
15. Politzer, P.; Lane, P.; Concha, M. C. J. Phys. Chem. A 1999, 103, 1419.
16. Ulas, A.; Kuo, K. K.; Gotzmer, C. Combust. Flame 2001, 127, 1935.
17. Dreizin, E. L.; Keil, D. G.; Felder, W.; Vicenzi, E. P. Combust. Flame 1999, 119, 272.
18. Chen, X.; Schauder, S.; Potier, N.; Dorsselaer, A. V.; Pelezer, I.; Bassler, B. L.; Hughson, F. M. Nature 2002, 415, 545.
19. Scoles, G. Atomic and Molecular Beam Methods; Oxford University Press: New York, 1988.
20. Balucani, N.; Osvany, O.; Lee, Y. T.; Kaiser, R. I.; Galland, N.; Rayez, M. T.; Hannachi, Y. J. Comput. Chem. 2001, 22, 1359.
21. Kaiser, R. I.; Balucani, N.; Galland, N.; Caralp, F.; Rayez, M. T.; Hannachi, Y. J. Phys. Chem. Submitted.
22. Balucani, N.; Asvany, O.; Lee, Y. T.; Kaiser, R. I.; Galland, N.; Hannachi, Y. J. Am. Chem. Soc. 2000, 122, 11234.
23. Galland, N. Ph.D. Thesis, Université Bordeaux I, Cedex, France, 2002.
24. Andrews, L.; Hassanzadeh, P.; Martin, J. M. L.; Taylor, P. R. J. Phys. Chem. 1993, 97, 5839.
25. Flores, J. R.; Largo, A. J. Phys. Chem. 1992, 96, 3015.
26. Martin, J. M. L.; Taylor, P. R.; Hassanzadeh, P.; Andrews, L. J. Am. Chem. Soc. 1993, 115, 2511.
27. Galland, N.; Hannachi, Y.; Lanzisera, D. V.; Andrews, L Chem. Phys. 1998, 230, 143.
28. Andrews, L.; Lanzisera, D.; Hassanzadeh, P.; Hannachi, Y. J. Phys. Chem. A 1998, 102, 3259.
29. Lee, Y. T.; McDonald, J. D.; LeBreton, P. R.; Herschbach, D. R. Rev. Sci. Instrum. 1969, 40, 1402.
30. Kaiser, R. I.; Suits, A. G. Rev. Sci. Instrum. 1995, 66, 5405.
31. Proch, D.; Trickl, T. Rev. Sci. Instrum. 1989, 60, 713.
32. Parson, J. M.; Shobatake, K.; Lee, Y. T.; Rice, S. A. J. Chem. Phys. 1973, 59, 1402.
33. Brink, G. O. Rev. Sci. Instrum. 1966, 37, 857.
34. Daly, N. R. Rev. Sci. Instrum. 1960, 31, 264.
35. Weis, M. S. Ph.D. Thesis, University of California, Berkeley, CA, 1986.
36. Vernon, M. Thesis, University of California, Berkeley, CA, 1981.
37. Kaiser, R. I. Acc. Chem. Res. 2001, 34, 699.
38. Levine, R. D.; Bernstein, R. B. Molecular Reaction Dynamics and Chemical Reactivity; Oxford University Press: Oxford, U.K., 1987.
39. Keir, R. I.; Lamb, D. W.; Ritchie, G. L. D.; Watson, J. N. Chem. Phys. Lett. 1997, 279, 22.
40. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
41. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
42. Stevens, P. J.; Devlin, F. J.; Chabalowski, F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623.
43. Dunning, T. H. J. Chem. Phys. 1998, 90, 1007.
44. Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
45. Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
46. (b) Curtiss, L. A.; Raghavachari, K. In Quantum Mechanical Electronic Structure: Calculations with Chemical Accuracy; Langhoff, S. R., Ed.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1995.
47. (c) Raghavachari, K.; Curtiss L. A. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995.
48. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; 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.; 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.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, 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.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
49. Mallard, W. G.; Westley, F.; Herron, J. T.; Hampson, R. F. NIST Chemical Kinetics Database, version 6.0; National Institute of Standards and Technology: Gaithersburg, MD, 1994.
50. Levine, R. D.; Bernstein, R. B. Molecular Reaction Dynamics and Chemical Reactivity; Oxford University Press: New York, 1987.
51. Huang, L. C. L.; Lee, H. Y.; Mebel, A. M.; Lin, S. H.; Lee, Y. T.; Kaiser, R. I. J. Chem. Phys. 2000, 113, 9637.
52. Kaiser, R. I.; Lee, Y. T.; Suits, A. G. J. Chem. Phys. 1996, 105, 8705.
53. Kaiser, R. I.; Ochsenfeld, C.; Head-Gorden, M.; Lee, Y. T.; Suits, A. G. J. Chem. Phys. 1997, 106, 1729.