Temperature dependence of the rate constants and branching ratios for the reactions of Cl- (D2O)1-3 with CH3Br and thermal dissociation rates for Cl-(CH3Br)

Journal of the American Chemical Society

Volumn 119, Issue 3, 1997, Pages 577-584

  Seeley, John V ^a   Morris, Robert A ^a   Viggiano, A A ^a   Wang, Haobin ^b   Hase, William L ^b  

^a AIR FORCE RESEARCH LABORATORY   (United States)

^b WAYNE STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ORGANOBROMINE DERIVATIVE;

ARTICLE; CHEMICAL REACTION KINETICS; DRUG SYNTHESIS; IN VITRO STUDY; ISOTOPE LABELING; REACTION ANALYSIS; THEORY;

EID: 0031017428     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja960872u     Document Type: Article

References (72)

1. Viggiano, A. A.; Paschkewitz, J. S.; Morris, R. A.; Paulson, J. F.; Gonzalez-Lafont, A.; Truhlar, D. G. J. Am. Chem. Soc. 1991, 113, 9404.
2. Viggiano, A. A.; Morris, R. A.; Paschkewitz, J. S.; Paulson, J. F. J. Am. Chem. Soc. 1992, 114, 10477.
3. Graul, S. T.; Bowers, M. T. J. Am. Chem Soc. 1991, 113, 9696.
4. Knighton, W. B.; Bognar, J. A.; O'Conner, P. M.; Grimsrud, E. P. J. Am. Chem. Soc. 1993, 115, 12079.
5. Cyr, D. M.; Posey, L. A.; Bishea, G. A.; Han, C.-C.; Johnson, M. A. J. Am. Chem. Soc. 1991, 113, 9697.
6. DePuy, C. H.; Gronert, S.; Mullin, A.; Bierbaum, V. M. J. Am. Chem. Soc. 1990, 112, 8650.
7. Gronert, S.; DePuy, C.; Bierbaum, V. J. Am. Chem. Soc. 1991, 113, 4009-4010.
8. Olmstead, W. N.; Brauman, J. I. J. Am. Chem. Soc. 1977, 99, 4219.
9. Tanaka, K.; Mackay, G. I.; Payzant, J. D.; Bohme, D. K. Can. J. Chem. 1976, 54, 1643-1659.
10. Caldwell, G.; Magnera, T. F.; Kebarle, P. J. Am. Chem. Soc. 1984, 106, 959-966.
11. Ingemann, S.; Nibbering, N. M. M. Can. J. Chem. 1984, 62, 2273-2281.
12. Wang, H.; Zhu, L.; Hase, W. L. J. Phys. Chem. 1994, 98, 1608.
13. Wang, W. L.; Peslherbe, G. H.; Hase, W. L. J. Am. Chem. Soc. 1994, 116, 9644.
14. Wang, H.; Hase, W. L. J. Am. Chem. Soc. 1995, 117, 9347.
15. Graul, S. T.; Bowers, M. T. J. Am Chem. Soc. 1994, 110, 3875.
16. Morris, R. A.; Viggiano, A. A. J. Phys. Chem. 1994, 98, 3740.
17. Viggiano, A. A.; Morris, R. A.; Su, T.; Wladkowski, B. D.; Craig, S. L.; Zhong, M.; Brauman, J. I. J. Am. Chem. Soc. 1994, 116, 2213.
18. Peslherbe, G. H.; Wang, H.; Hase, W. L. J. Am. Chem. Soc. In press.
19. Bohme, D. K.; Mackay, G. I. J. Am. Chem. Soc. 1981, 103, 978.
20. Bohme, D. K.; Raksit, A. B. J. Am. Chem. Soc. 1984, 106, 3447.
21. Bohme, D. K.; Raksit, A. B. Can. J. Chem. 1985, 63, 3007.
22. Henchman, M.; Hierl, P. M.; Paulson, J. F. Adv. Chem. Ser. 1987, 215, 83.
23. Hierl, P. M.; Ahrens, A. F.; Henchman, M.; Viggiano, A. A.; Paulson, J. F.; Clary, D. C. J. Am. Chem. Soc 1986, 108, 3142.
24. Hierl, P. M.; Paulson, J. F.; Henchman, M. J. J. Phys. Chem. In press.
25. Viggiano, A. A.; Arnold, S. T.; Morris, R. A.; Ahrens, A. F.; Hierl, P. M. J. Am. Chem. Soc. 1996, 100, 14397.
26. Giles, K.; Grimsrud, E. P. J. Phys. Chem. 1993, 97, 1318.
27. Arnold, S. T.; Morris, R. A.; Viggiano, A. A. J. Chem. Phys 1995, 103, 9242.
28. Posey, L. A.; DeLucca, M. J.; Campagnola, P. J.; Johnson, M. A. J. Phys. Chem. 1989, 93, 1178.
29. Viggiano, A. A.; Dale, F.; Paulson, J. F. J. Chem. Phys. 1988, 88, 2469.
30. Viggiano, A. A.; Morris, R. A.; Dale, F.; Paulson, J. F.; Giles, K.; Smith, D.; Su, T. J. Chem. Phys. 1990, 93, 1149-1157.
31. Magnera, T. F.; Kebarle, P. In Ionic Processes in the Gas Phase; Almoster Ferreira, M. A., Ed.; D. Reidel Publishing: Boston, 1984; pp 135-157.
32. Ikezoe, Y.; Matsuoka, S.; Takebe, M.; Viggiano, A. A. Gas Phase Ion-Molecule Reaction Rate Constants Through 1986; Maruzen Company, Ltd.: Tokyo, 1987.
33. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17, Suppl. 1, 1-861.
34. Keesee, R. G.; Castleman, A. W., Jr. J. Phys. Chem. Ref. Data 1986, 15, 1011.
35. McMahon, T. B. Personal communication.
36. Li, C.; Ross, P.; Szulejko, J. E.; McMahon, T. B. J. Am. Chem. Soc. In press.
37. O'Hair, R. A. J.; Davico, G. E.; Hacaloglu, J.; Dang, T. T.; DePuy, C. H.; Bierbaum, V. M. J. Am. Chem. Soc. 1994, 116, 3609-3610.
38. Troe, J. J. Chem. Phys. 1977, 66, 4745.
39. Tardy, D. C.; Rabinovitch, B. S. Chem. Rev. 1977, 77, 369.
40. Robinson, P. J.; Holbrook, K. A. Unimolecular Reactions; Wiley-Interscience: London, 1972.
41. Forst, W. Theory of Unimolecular Reactions; Academic Press: New York, 1973.
42. Gilbert, R. G.; Smith, S. C. Theory of Unimolecular and Recombination Reactions; Blackwell: London, 1990.
43. Baer, T.; Hase, W. L. Unimolecular Reaction Dynamics. Theory and Experiment; New York: Oxford, 1996.
44. Zhu, L.; Chen, W.; Hase, W. L.; Kaiser, E. W. J. Phys. Chem. 1993, 97, 311.
45. Chan, S. C.; Rabinovitch, B. S.; Bryant, J. T.; Spicer, L. D.; Fujimoto, T.; Lin, Y. N.; Paulou, S. P. J. Phys. Chem. 1970, 74, 3160.
46. Fujimoto, T.; Lin, Y. N.; Paulou, S. P. J. Phys. Chem 1970, 74, 3160.
47. Troe, J. J. Phys. Chem. 1979, 83, 114.
48. Zhu, L.; Hase, W. L. Chem. Phys. Lett. 1990, 175, 117.
49. Aubanel, E. E.; Wardlaw, D. M.; Zhu, L.; Hase, W. L. Int. Rev. Phys. Chem. 1990, 10, 249.
50. 3Br), since there is very little shifting in the vibrational frequencies in going from the reactant to complex.
51. Bunker, D. L.; Pattengill, M. J. Chem. Phys. 1968, 48, 772.
52. Hase, W. L. J. Chem. Phys. 1972, 57, 730.
53. Hase, W. L. In Modern Theoretical Chemistry, Vol. 2, Dynamics of Molecular Collisions; Miller, W. H., Ed.; Plenum: New York, 1976; p 121.
54. Hase, W. L. Acc. Chem. Res. 1983, 16, 258.
55. Hase, W. L.; Wardlaw, D. M. In Advances in Bimolecular Collisions; Ashfold, M. N. R., Baggott, J. E., Ed.; Royal Society of Chemistry: London, 1989; p 171.
56. Wardlaw, D. M.; Marcus, R. A. Adv. Chem. Phys. 1988, 70, 231.
57. Hu, W.-P.; Truhlar, D. G. J. Am. Chem. Soc. 1995, 117, 10726.
58. Glukhovtsev, M. N.; Pross, A.; Radom, L. J. Am. Chem. Soc. Submitted for publication.
59. Meagher, J. F.; Chao, K. J.; Barker, J. R.; Rabinovitch, B. S. J. Phys. Chem. 1974, 78, 2535.
60. Miller, W. H. J. Am. Chem. Soc. 1979, 101, 6810.
61. Kato, S.; Morokuma, K. J. Chem. Phys. 1980, 72, 206.
62. Forst, W. J. Phys. Chem. 1983, 87, 4489.
63. Cho, Y. J.; Vande Linde, S. R.; Zhu, L.; Hase, W. L. J. Chem. Phys. 1992, 96, 8275.
64. Wang, H.; Hase, W. L. Chem. Phys. Submitted for publication.
65. Marcus, R. A.; Coltrin, M. E. J. Chem. Phys. 1977, 67, 2609.
66. Garrett, B. C.; Truhlar, D. G.; Wagner, A. F.; Dunning, T. H. J. Chem. Phys. 1985, 78, 440.
67. Garrett, B. C.; Joseph, T.; Truong, T.; Truhlar, D. G. Chem. Phys. 1989, 136, 271.
68. Knyazev, V. D.; Slagle, I. R. J. Phys. Chem. Submitted for publication.
69. Peslherbe, G. H.; Wang, H.; Hase, W. L. J. Chem. Phys. 1995, 102, 5626.
70. Morokuma, K. J. J. Am. Chem. Soc. 1982, 104, 3732.
71. Ohta, K.; Morokuma, K. J. Phys. Chem. 1985, 89, 5845.
72. Su, T.; Morris, R. A.; Viggiano, A. A.; Paulson, J. F. J. Phys. Chem. 1990, 94, 8426.