Observation of Feshbach resonances in the F + H2 → HF + H Reaction

Science

Volumn 311, Issue 5766, 2006, Pages 1440-1443

  Qiu, Minghui ^a,b   Ren, Zefeng ^a   Che, Li ^a   Dai, Dongxu ^a   Harich, Steve A ^a   Wang, Xiuyan ^a   Yang, Xueming ^a   Xu, Chuanxiu ^c   Xie, Daiqian ^c   Gustafsson, Magnus ^d,e   Skodje, Rex T ^d,e   Sun, Zhigang ^a,f   Zhang, Dong H ^a,f  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b DALIAN JIAOTONG UNIVERSITY   (China)

^c NANJING UNIVERSITY   (China)

^d INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^e UNIVERSITY OF COLORADO   (United States)

^f NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; HYDROGEN; MOLECULAR BEAMS; QUANTUM THEORY; SCATTERING;

ADIABATIC POTENTIAL; COLLISION ENERGY; CONSTRUCTIVE INTERFERENCE; FESHBACH RESONANCES; TIME-OF-FLIGHT METHOD;

RESONANCE;

FLUORINE; HYDROGEN;

RESONANCE;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENERGY; PRIORITY JOURNAL; QUANTUM MECHANICS; TECHNIQUE; THEORETICAL STUDY; VIBRATION; WAVEFORM;

ELECTRONS; FLUORINE; HYDROGEN; MODELS, CHEMICAL;

EID: 33644871181     PISSN: 00368075     EISSN: 10959203     Source Type: Journal    
DOI: 10.1126/science.1123452     Document Type: Article

References (35)

1. G. C. Schatz, Science 288, 1599 (2000).
2. A. Kuppermann, in Potential Energy Surfaces and Dynamical Calculations, D. Truhlar, Ed. (Plenum, New York, 1981), pp. 375-420.
3. Y. T. Lee, Science 236, 793 (1987).
4. K. Liu, Annu. Rev. Phys. Chem. 52, 139 (2001).
5. F. Fernandez-Alonso, R. N. Zare, Annu. Rev. Phys. Chem. 53, 67 (2002).
6. G. C. Schatz, J. M. Bowman, A. Kuppermann, J. Chem. Phys. 58, 4023 (1973).
7. G. C. Schatz, J. M. Bowman, A. Kuppermann, J. Chem. Phys. 63, 674 (1975).
8. G. C. Schatz, J. M. Bowman, A. Kuppermann, J. Chem. Phys. 63, 685 (1975).
9. S.-F. Wu, B. R. Johnson, R. D. Levine, Mal. Phys. 25, 839 (1973).
10. D. M. Neumark, A. M. Wodtke, G. N. Robinson, C. C. Hayden, Y. T. Lee, Phys. Rev. Lett. 53, 226 (1984).
11. D. M. Neumark, A. M. Wodtke, G. N. Robinson, C. C. Hayden, Y. T. Lee, J. Chem. Phys. 82, 3045 (1985).
12. F. J. Aoiz et al., Chem. Phys. 223, 215 (1994).
13. J.-F. Castillo, D. E. Manolopoulos, K. Stark, H.-J. Werner, J. Chem. Phys. 104, 6531 (1996).
14. K. Stark, H.-J. Werner, J. Chem. Phys. 104, 6515 (1996).
15. R. T. Skodje et al., Phys. Rev. Lett. 85, 1206 (2000).
16. D. E. Manolopoulos et al., Science 262, 1852 (1993).
17. C. L. Russell, D. E. Manolopoulos, Chem. Phys. Lett. 256, 465 (1996).
18. L. Y. Rusin, M. B. Sevryuk, J. P. Toennies, J. Chem. Phys. 122, 134314 (2005).
19. S. A. Nizkorodov, W. W. Harper, W. B. Chapman, B. W. Blackmon, D. J. Nesbitt, J. Chem. Phys. 111, 8404 (1999).
20. M. Hayes, M. Gustafsson, A. M. Mebel, R. T. Skodje, Chem. Phys. 308, 259 (2005).
21. L. Schnieder, K. Seekamp-Rahn, E. Wrede, K. H. Welge, J. Chem. Phys. 107, 6175 (1997).
22. X. Liu, J. J. Lin, S. A. Harich, G. C. Schatz, X. Yang, Science 289, 1536 (2000).
23. S. A. Harich et al., Nature 419, 281 (2002).
24. D. Dai et al., Science 300, 1730 (2003).
25. B. R. Strazisar, C. Lin, H. F. Davis, Science 290, 958 (2000).
26. See supporting material on Science Online.
27. H.-J. Werner, P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).
28. P. J. Knowles, H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).
29. S. R. Langhoff, E. R. Davidson, Int. J. Quantum Chem. 8, 61 (1974).
30. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
31. D. Skouteris, J. F. Castillo, D. E. Manolopoulos, Comput. Phys. Commun. 133, 128 (2000).
32. See fig. S1 for the J = 0 reaction probability, fig. S2 for the J-shifting reaction probability curves, fig. S3 for the partial wave decomposition of the HF(v′ = 2) forward-scattering peak at the collision energy of 0.52 kcal/mol, fig. S4 for the 3D scattering wave functions at 0.26 and 0.46 kcal/mol for J = 0 from converged time-dependent wave packet calculations, and fig. S5 for projection of J = 0 scattering wave function at the collision energy of 0.26 kcal/mol (corresponding to the ground resonance state) to HF vibrational states and at 0.46 kcal/mol (corresponding to the excited resonance state).
33. S. D. Chao, R. T. Skodje, J. Chem. Phys. 113, 3487 (2000).
34. T. Xie, D. Wang, J. M. Bowman, D. E. Manolopoulos, J. Chem. Phys. 116, 7461 (2002).
35. Supported mainly by the Chinese Academy of Sciences, the Ministry of Science and Technology, and the National Natural Science Foundation of China. M.G. and R.T.S. acknowledge the support of Academia Sinica. We thank K. Liu for many insightful discussions, and C. Zhou, W. Dong, and X. Wang for their help during the experiment.