Dynamical resonance in F+H2 chemical reaction and rotational excitation effect
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- 作者：XueMing Yang (1)
DaiQian Xie (2)
DongHui Zhang (1) - 关键词：Feshbach resonance ; reaction resonance ; state ; to ; state reactive scattering ; reaction dynamics ; quantum interference
- 刊名：Chinese Science Bulletin
- 出版年：2007
- 出版时间：April 2007
- 年：2007
- 卷：52
- 期：8
- 页码：1009-1012
- 全文大小：1308KB
- 参考文献：1. Dai D, Wang C C, Harich S A, et al. Interference of quantized transition-state pathways in the H+D2鈫扗+HD chemical reaction. Science, 2003, 300(5626): 1730鈥?733 CrossRef
2. Harich S A, Dai D, Wang C C, et al. Forward scattering due to slow-down of the intermediate in the H+HD鈫扗+H2 reaction. Nature, 2002, 419(6904): 281鈥?84 CrossRef
3. Skodje R T, Yang X. The observation of quantum bottleneck states. Int Rev Phys Chem, 2004, 23(2): 253鈥?87 CrossRef
4. Schatz G C, Bowman J M, Kuppermann A. Large quantum effects in the collinear F+H2鈫扚H+H reaction. J Chem Phys, 1973, 58(9): 4023鈥?025 CrossRef
5. Wu S-F, Johnson B R, Levine R D. Quantum mechanical computational studies of chemical reactions: III. Collinear A + BC reaction with some model potential energy surfaces. Mol Phys, 1973, 25(4): 839鈥?56 CrossRef
6. Neumark D M, Wodtke A M, Robinson G N, et al. Experimental investigation of resonances in reactive scattering: The F + H2 reaction. Phys Rev Lett, 1984, 53(3): 226鈥?29 CrossRef
7. Aoiz F J, Banares L, Herrero V J, et al. Classical dynamics for the F + H2鈫扝F + H reaction on a new ab initio potential energy surface. A direct comparison with experiment. Chem Phys Lett, 1994, 223(3): 215鈥?26 CrossRef
8. Castillo J F, Manolopoulos D E, Stark K, et al. Quantum mechanical angular distributions for the F+H2 reaction. J Chem Phys, 1996, 104(17): 6531鈥?546 CrossRef
9. Skodje R T, Skouteris D, Manolopoulos D E, et al. Resonance-mediated chemical reaction: F+HD鈫扝F+D. Phys Rev Lett, 2000, 85: 1206鈥?209 CrossRef
10. Rusin L Y, Sevryuk M B, Toennies J P. Comparison of experimental time-of-flight spectra of the HF products from the F+H2 reaction with exact quantum mechanical calculations. J Chem Phys, 2005, 122(13): 134314 CrossRef
11. Nizkorodov S A, Harper W W, Chapman W B, et al. Energy-dependent cross sections and nonadiabatic reaction dynamics in F(2P3/2,2P1/2) + / n-H2鈫扝F( / v, / J) + H. J Chem Phys, 1999, 111(18): 8404鈥?416 CrossRef
12. Hayes M, Gustafsson M, Mebel A M, et al. An improved potential energy surface for the F+H2 reaction. Chem Phys, 2005, 308(3): 259鈥?66 CrossRef
13. Skouteris D, Castillo J F, Manolopoulos D E. ABC: a quantum reactive scattering program. Comput Phys Commun, 2000, 133(1): 128鈥?35 CrossRef
14. Qiu M, Ren Z, Che L, et al. Observation of feshbach resonances in the F+H2鈫扝F+H reaction. Science, 2006, 311(5766): 1440鈥?443 CrossRef
15. Zare R N. Enhanced: Resonances in reaction dynamics. Science, 2006, 311(5766): 1383鈥?385 CrossRef
16. Ren Z, Che L, Qiu M, et al. Detecting feshbach resonances in F+H2 ( / j = 1) reaction: Effect of single quantum H2-rotation. J Chem Phys, 2006, 125(15): 151102 CrossRef - 作者单位：XueMing Yang (1)
DaiQian Xie (2)
DongHui Zhang (1)
1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China
2. Institute of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, China - ISSN：1861-9541
文摘
Reaction resonance is a frontier topic in chemical dynamics research, and it is also essential to the understanding of mechanisms of elementary chemical reactions. This short article describes an important development in the frontier of research. Experimental evidence of reaction resonance has been detected in a full quantum state resolved reactive scattering study of the F+H2 reaction. Highly accurate full quantum scattering theoretical modeling shows that the reaction resonance is caused by two Feshbach resonance states. Further studies show that quantum interference is present between the two resonance states for the forward scattering product. This study is a significant step forward in our understanding of chemical reaction resonance in the benchmark F+H2 system. Further experimental studies on the effect of H2 rotational excitation on dynamical resonance have been carried out. Dynamical resonance in the F+H2 (j = 1) reaction has also been observed.