Reactant vibrational excitations are more effective than translational energy in promoting an early-barrier reaction F + H2O → HF + OH

Journal of the American Chemical Society

Volumn 135, Issue 3, 2013, Pages 982-985

  Li, Jun ^a   Jiang, Bin ^a   Guo, Hua ^a  

^a UNIVERSITY OF NEW MEXICO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC MODELS; GLOBAL POTENTIAL ENERGY SURFACES; MODE SELECTIVITY; OH REACTION; QUANTUM WAVE PACKETS; QUASICLASSICAL TRAJECTORIES; TRANSLATIONAL ENERGY; VIBRATIONAL DEGREES OF FREEDOM; VIBRATIONAL ENERGIES; VIBRATIONAL EXCITATION;

CHEMISTRY; SYNTHESIS (CHEMICAL);

QUANTUM CHEMISTRY;

HYDROGEN; WATER;

ARTICLE; CHEMICAL REACTION; ENERGY; MOLECULAR DYNAMICS; QUANTUM MECHANICS; VIBRATION;

FLUORINE; HYDROFLUORIC ACID; HYDROXIDES; QUANTUM THEORY; VIBRATION; WATER;

EID: 84872785832     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja311159j     Document Type: Article

References (51)

1. Zare, R. N. Science 1998, 279, 1875
2. Crim, F. F. Acc. Chem. Res. 1999, 32, 877
3. Polanyi, J. C. Acc. Chem. Res. 1972, 5, 161
4. Sinha, A.; Hsiao, M. C.; Crim, F. F. J. Chem. Phys. 1991, 94, 4928
5. Bronikowski, M. J.; Simpson, W. R.; Zare, R. N. J. Phys. Chem. 1993, 97, 2194
6. Simpson, W. R.; Rakitzis, T. P.; Kandel, S. A.; Lev-On, T.; Zare, R. N. J. Phys. Chem. 1996, 100, 7938
7. Yoon, S.; Holiday, R. J.; Crim, F. F. J. Phys. Chem. B 2005, 109, 8388
8. Bechtel, H. A.; Kim, Z.-H.; Camden, J. P.; Zare, R. N. J. Chem. Phys. 2004, 120, 5096
9. Zhou, J.; Lin, J. J.; Zhang, B.; Liu, K. J. Phys. Chem. A 2004, 108, 7832
10. Juurlink, L. B. F.; Killelea, D. R.; Utz, A. L. Prog. Surf. Sci. 2009, 84, 69
11. Zhang, W.; Kawamata, H.; Liu, K. Science 2009, 325, 303
12. Yan, S.; Wu, Y. T.; Zhang, B.; Yue, X.-F.; Liu, K. Science 2007, 316, 1723
13. Czakó, G.; Bowman, J. M. J. Am. Chem. Soc. 2009, 131, 17534
14. Czakó, G.; Bowman, J. M. Science 2011, 334, 343
15. Zhang, Z.; Zhou, Y.; Zhang, D. H.; Czakó, G.; Bowman, J. M. J. Phys. Chem. Lett. 2012, 3, 3416
16. Ricaud, P.; Lefevre, F. In Fluorine and the Environment; Tressaud, A., Ed.; Elsevier: Amsterdam, 2006.
17. Neufeld, D. A.; Zmuidzinas, J.; Schilke, P.; Phillips, T. G. Astrophys. J. 1997, 488, L141
18. Czakó, G.; Shepler, B. C.; Braams, B. J.; Bowman, J. M. J. Chem. Phys. 2009, 130, 084301
19. Deskevich, M. P.; Nesbitt, D. J.; Werner, H.-J. J. Chem. Phys. 2004, 120, 7281
20. Stevens, P. S.; Brune, W. H.; Anderson, J. G. J. Phys. Chem. 1989, 93, 4068
21. Duewer, W. H.; Setser, D. W. J. Chem. Phys. 1973, 58, 2310
22. Agrawalla, B. S.; Setser, D. W. J. Phys. Chem. 1986, 90, 2450
23. Zolot, A. M.; Nesbitt, D. J. J. Chem. Phys. 2008, 129, 184305
24. Ziemkiewicz, M.; Wojcik, M.; Nesbitt, D. J. J. Chem. Phys. 2005, 123, 224307
25. Ziemkiewicz, M.; Nesbitt, D. J. J. Chem. Phys. 2009, 131, 054309
26. Li, J.; Dawes, R.; Guo, H. J. Chem. Phys. 2012, 137, 094304
27. Bowman, J. M.; Czakó, G.; Fu, B. Phys. Chem. Chem. Phys. 2011, 13, 8094
28. Li, J.; Jiang, B.; Guo, H. Chem. Sci. 2013, 4, 629
29. Althorpe, S. C.; Clary, D. C. Annu. Rev. Phys. Chem. 2003, 54, 493
30. Hu, W.; Schatz, G. C. J. Chem. Phys. 2006, 125, 132301
31. Hase, W. L.; Duchovic, R. J.; Hu, X.; Komornicki, A.; Lim, K. F.; Lu, D.-H.; Peslherbe, G. H.; Swamy, K. N.; Linde, S. R. V.; Varandas, A.; Wang, H.; Wolf, R. J. QCPE Bull. 1996, 16, 671
32. Jiang, B.; Xie, D.; Guo, H. J. Chem. Phys. 2011, 135, 084112
33. Jiang, B.; Ren, X.; Xie, D.; Guo, H. Proc. Natl. Acad. Sci. U.S.A. 2012, 109, 10224
34. Guo, H. Int. Rev. Phys. Chem. 2012, 31, 1
35. Pack, R. T. J. Chem. Phys. 1974, 60, 633
36. McGuire, P.; Kouri, D. J. J. Chem. Phys. 1974, 60, 2488
37. Clary, D. C. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 12649
38. Xiao, C.; Xu, X.; Liu, S.; Wang, T.; Dong, W.; Yang, T.; Sun, Z.; Dai, D.; Xu, X.; Zhang, D. H.; Yang, X. Science 2011, 333, 440
39. Schatz, G. C.; Colton, M. C.; Grant, J. L. J. Phys. Chem. 1984, 88, 2971
40. Zhang, D. H.; Collins, M. A.; Lee, S.-Y. Science 2000, 290, 961
41. Miller, W. H.; Handy, N. C.; Adams, J. E. J. Chem. Phys. 1980, 72, 99
42. Corchado, J. C.; Chuang, Y.-Y.; Fast, P. L.; Hu, W.-P.; Liu, Y.-P.; Lynch, G. C.; Nguyen, K. A.; Jackels, C. F.; Fernandez Ramos, A.; Ellingson, B. A.; Lynch, B. J.; Zheng, J.; Melissas, V. S.; Villaì, J.; Rossi, I.; Coitiño, E. L.; Pu, J.; Albu, T. V.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Truhlar, D. G. POLYRATE; University of Minnesota: Minneapolis, 2007.
43. Child, M. S.; Halonen, L. Adv. Chem. Phys. 1984, 57, 1
44. Fair, J. R.; Schaefer, D.; Kosloff, R.; Nesbitt, D. J. J. Chem. Phys. 2002, 116, 1406
45. Sanson, J.; Corchado, J. C.; Rangel, C.; Espinosa-García, J. J. Chem. Phys. 2006, 124, 074312
46. Halonen, L.; Bernasek, S. L.; Nesbitt, D. J. J. Chem. Phys. 2001, 115, 5611
47. Yoon, S.; Holiday, R. J.; Sibert, E. L., III; Crim, F. F. J. Chem. Phys. 2003, 119, 9568
48. Duncan, W. T.; Truong, T. N. J. Chem. Phys. 1995, 103, 9642
49. Hofacker, G. L.; Rosch, N. Ber. Bunsenges. Phys. Chem. 1973, 77, 661
50. Duff, J. W.; Truhlar, D. G. J. Chem. Phys. 1975, 62, 2477
51. Yan, S.; Wu, Y.-T.; Liu, K. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 12667