Nonadiabatic proton/deuteron transfer within the benzophenone - triethylamine triplet contact radical ion pair: Exploration of the influence of structure upon reaction

Journal of Physical Chemistry B

Volumn 112, Issue 2, 2008, Pages 219-226

  Heeb, Libby R ^a   Peters, Kevin S ^a  

^a UNIVERSITY OF COLORADO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; RATE CONSTANTS; REACTION KINETICS;

NONADIABATIC PROTON; TRIETHYLAMINE TRIPLET;

PROTON TRANSFER;

EID: 38749147261     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp073340g     Document Type: Article

References (50)

1. Bell, R. P. The Proton in Chemistry; Chapman and Hall: London, 1973.
2. Bell, R. P. The Tunnel Effect in Chemistry; Chapman and Hall: London, 1980.
3. Borgis, D.; Hynes, J. T. J. Phys. Chem. 1996, 100, 1118.
4. Kohen, A.; Klinman, J. P. Ace. Chem. Res. 1998, 31, 397.
5. Kuznetsov, A. M. Charge Transfer in Physics, Chemistry and Biology; Gordon and Breach: Luxembourg, 1995.
6. Morillo, M.; Cukier, R. I. J. Chem. Phys. 1990, 92, 4833.
7. Hammes-Schiffer, S. Ace. Chem. Res. 2001, 34, 273.
8. Barbara, P. F.; Walsh, P. K.; Brus, L. E. J. Phys. Chem. 1989, 93, 29.
9. Pines, E.; Fleming, G. R. Chem. Phys. 1994, 183, 393.
10. Zewail, A. H. J. Phys. Chem. 1996, 100, 12701.
11. Brucker, G. A.; Swinney, T. C.; Kelley, D. F. J. Phys. Chem. 1991, 95, 3190.
12. Genosar, L.; Cohen, B.; Huppert, D. J. Phys. Chem. A 2000, 104, 6689.
13. Westheimer, F. H. Chem. Rev. 1961, 61, 265.
14. Truhlar, D. G.; Gao, J.; Alhambra, C.; Garcia-Viloca, M.; Corchado, J.; Sanchez, M. L.; Villa, J. Ace. Chem. Res. 2002, 35, 341.
15. Garcia-Viloca, M.; Gao, J.; Karplus, M.; Truhlar, D. G. Science 2005, 303, 186.
16. German, E. D.; Kuznetsov.,A. M.; Dogonadze, R. R. J. Chem. Soc., Faraday Trans. 2 1980, 76, 1128.
17. German, E. D.; Kuznetsov, A. M. J. Chem. Soc., Faraday Trans. 1 1981, 77, 397.
18. Azzouz, H.; Borgis, D. J. Chem. Phys. 1993, 98, 7361.
19. Lee, S.; Hynes, J. T. J. Chim. Phys. Phys. Chim. Biol. 1996, 93, 1783.
20. Kiefer, P. M.; Hynes, J. T. J. Phys. Chem. A 2002, 106, 1834.
21. Kiefer, P. M.; Hynes, J. T. J. Phys. Chem. A 2002, 106, 1850.
22. Kiefer, P. M.; Hynes, J. T. J. Phys. Chem. A 2003, 107, 9022.
23. Kiefer, P. M.; Hynes, J. T. J. Phys. Chem. A 2004, 108, 11793.
24. Kiefer, P. M.; Hynes, J. T. J. Phys. Chem. A 2004, 108, 11809.
25. Peters, K. S. Advances in Photochemistry; John Wiley & Sons: New York, 2002; Vol. 27.
26. Peters, K. S.; Cashin, A. J. Phys. Chem. A 2000, 104, 4833.
27. Peters, K. S.; Cashin, A.; Timbers, P. J. J. Am. Chem. Soc. 2000, 122, 107.
28. Peters, K. S.; Kim, G. J. Phys. Chem. A 2001, 105, 4177.
29. Peters, K. S.; Kim, G. J. Phys. Chem. A 2004, 108, 2598.
30. Peters, K. S.; Kim, G. J. Phys. Org. Chem. 2004, 17, 1.
31. Heeb, L. R.; Peters, K. S. J. Phys. Chem. A 2006, 110, 6408.
32. Peters, K. S.; Lee, J. J. J. Phys. Chem. 1992, 96, 8941.
33. Hehre, W. J.; Yu, J.; Hunzinger, P. E.; Lou, L. A Brief Guide to Molecular Mechanics and Quantum Chemical Calculations; Wavefunction, Inc.: Irvine, CA, 1998.
34. Peters, K. S.; Gasparrini, S.; Heeb, L. R. J. Am. Chem. Soc. 2005, 127, 13039.
35. Shaefer, C. G.; Peters, K. S. J. Am. Chem. Soc. 1980, 102, 7566.
36. Peters, K. S.; Lee, J. J. Phys. Chem. 1993, 97, 3761.
37. Gould, I. R.; Farid, S. Acc. Chem. Res. 1996, 29, 522.
38. Pischel, U.; Nau, W. M. J. Am. Chem. Soc. 2001, 123, 9727.
39. Arnold, B. R.; Farid, S.; Goodman, J. L.; Gould, I. R. J. Am. Chem. Soc. 1996, 118, 5482.
40. Dombrowski, G. W.; Dinnocenzo, J. P.; Farid, S.; Goodman, J. L.; Gould, I. R. J. Org. Chem. 1999, 64, 427.
41. Eyring, H. J. Chem. Phys. 1935, 3, 107.
42. Wigner, E. P. Trans. Faraday Soc. 1938, 34, 1938.
43. Li, D.; Voth, G. A. J. Phys. Chem. 1991, 95, 10425.
44. Truhlar, D. G.; Garrett, B. C.; Klippenstein, S. J. J. Phys. Chem. 1996, 100, 12771.
45. Makri, N.; Miller, W. H. J. Chem. Phys. 1989, 91, 4026.
46. Tucherman, M. E.; Marx, D. Phys. Rev. Lett. 2001, 86, 4946.
47. Tautermann, C. S.; Voegele, A. F.; Loerting, T.; Liedl, K. R. J. Chem. Phys. 2002, 117, 1962.
48. Sinnokrot, M. O.; Sherrill, C. D. J. Phys. Chem. A 2006, 110, 10656.
49. Marcus, R. A. J. Chem. Phys. 1956, 15, 155.
50. Li, B.; Peters, K. S. J. Phys. Chem. 1993, 97, 13145.