Product polarization distribution: Stereodynamics
of the reaction of atom H and radical NH

doi:10.1007/s11467-008-0021-3

PDF(1265 KB)

Front. Phys. ›› 2008, Vol. 3 ›› Issue (2) : 153-158. DOI: 10.1007/s11467-008-0021-3

Product polarization distribution: Stereodynamics of the reaction of atom H and radical NH

LIU Yu-fang, ZHAI Hong-sheng, GAO Ya-li

Author information +

History +

Abstract

The product angular momentum polarization of the reaction of H+NH is calculated via the quasiclassical trajectory method (QCT) based on the extended London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES) at a collision energy of 5.1 kcal/mol. The calculated results of the vector correlations are denoted by using the angular distribution functions. The polarization-dependent differential cross sections (PDDCSs) demonstrate that the rotational angular momentum of the product H₂ is aligned and oriented along the direction perpendicular to the scattering plane. Vector correlation shows that the angular momentum of the product H₂ is aligned in the plane perpendicular to the velocity vector. It suggests that the reaction proceeds preferentially when the reactant velocity vector lies in a plane containing all three atoms. The orientation and alignment of the product angular momentum affects the scattering direction of the product molecules. The polarization-dependent differential cross sections (PDD-CSs) reveal that scattering is predominantly in the backward hemisphere.

Cite this article

EndNote

Ris (Procite)

Bibtex

Download citation ▾

LIU Yu-fang, ZHAI Hong-sheng, GAO Ya-li. Product polarization distribution: Stereodynamics of the reaction of atom H and radical NH. Front. Phys., 2008, 3(2): 153‒158 https://doi.org/10.1007/s11467-008-0021-3

References

1. Dove J E Nip S W Can. J. Chem. 1979 57689. doi: 10.1139/v79‐112
2. Morley C 18th Symp. Int. Combust.Pittsburgh,PAThe Combustion Institute 1981 1823
3. Xu Z F Fang D C Fu X Y J. Phys. Chem. 1997 1014432
4. Xu L J Yan J M FA K Chin. Sci. Bul. 1999 4411
5. Zhang S W Truong T N J. Chem. Phys. 2000 1136149. doi: 10.1063/1.1308544
6. Pascual R Z Schatz G C Lendvay G Troya D J. Phys.Chem. A 2002 1064125. doi: 10.1021/jp0133079
7. Adam L Hack W J Zhu H Qu Z W Schinkea R J. Chem. Phys. 2005 122114301. doi: 10.1063/1.1862615
8. Basevich Ya Vedeneev V I Khim. Fiz. 1988 71552
9. Koshi M Yoshimura M Fukuda K Matsui H Saito K Watanabe M Imamura A Chen C J Chem. Phys. 1990 938703. doi: 10.1063/1.459257
10. Davidson F Hanson R K Int. J. Chem. Kinet. 1990 22843. doi: 10.1002/kin.550220805
11. Aleksandrov N Basevich V Ya Vedeneev V I Khim. Fiz. 1994 1390
12. Ottinger C Brozis M Kowalski A Chem. Phys. Lett. 1999 315355. doi: 10.1016/S0009‐2614(99)01192‐6
13. Fano U Macek H H Rev. Mod. Phys. 1973 45553. doi: 10.1103/RevModPhys.45.553
14. Case D E Herschbach D R Mol. Phys. 1975 301537. doi: 10.1080/00268977500103061
15. McClelland G M Herschbach D R J. Phys. Chem. 1979 831445. doi: 10.1021/j100474a018
16. Barnwell J D Loeser J G Herschbach D R J. Phys. Chem. 1983 872781. doi: 10.1021/j100238a017
17. McClelland G M Herschbach D R J. Phys. Chem. 1987 915509. doi: 10.1021/j100305a025
18. Wang M L Han K L Zhan J P Wu V W K He G Z Lou N Q Chem. Phys. Lett. 1997 278307. doi: 10.1016/S0009‐2614(97)01063‐4
19. Wang M L Han K L He G Z J. Chem. Phys. 1998 1095446. doi: 10.1063/1.476522
20. Soep B Vetter R J. Phys. Chem. 1995 9913569. doi: 10.1021/j100037a600
21. Zhang X Xie T X Zhao M Y Han K L Chin.J. Chem. Phys. 2002 15169
22. Chen Dating B Y Han K L Lou N Q Chin. J. Chem. Phys. 2002 15247
23. Cong S L Li Y M Yin H M Sun J Han K L Chin. J. Chem. Phys. 2002 15198
24. Liu J Y Fan W H Han K L Xu D L Lou N Q Chin. J. Chem. Phys. 2003 16161
25. Wang M L Han K L He G Z J. Chem. Phys. 1998 1095446. doi: 10.1063/1.476522
26. Han K L He G Z Lou N Q J. Chem. Phys. 1992 967865. doi: 10.1063/1.462386
27. Han K L He G Z Lou N Q Chem. Phys. Lett. 1992 193165. doi: 10.1016/0009‐2614(92)85702‐C
28. Liu Y F Liu Z Z Lv G S Jiang L J Sun J F Chem. Phys. Lett. 2006 423157. doi: 10.1016/j.cplett.2006.03.059
29. Aoiz F J Brouard M Enriquez P A J. Chem. Phys. 1996 1054964. doi: 10.1063/1.472346
30. Chen M D Han K L Lou N Q Chem. Phys. 2002 283463. doi: 10.1016/S0301‐0104(02)00768‐1
31. Orr-Ewing A J Zare R N Annu. Rev. Phys. Chem. 1994 45315. doi: 10.1146/annurev.pc.45.100194.001531
32. Brouard M Lambert H M Rayner S P Simpson J P Mol.Phys. 1996 89403. doi: 10.1080/002689796173796
33. Aoiz F J Brouard M Enriquez P A J. Chem. Phys. 1996 1054964. doi: 10.1063/1.472346
34. Aoiz F J Brouard M Herrero V J Rabanos V S Stark K Chem. Phys. Lett. 1997 64487. doi: 10.1016/S0009‐2614(96)01365‐6
35. Alexander A J Aoiz F J Banareas L Brouard M Short J Simons J P J. Phys. Chem. A 1997 1017544. doi: 10.1021/jp971123h