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The stereodynamic properties of the reaction N(4S)+NO(X2Π)→N2(X3Σg-)+O(3P) in different initial reagent rotational states are studied theoretically by using the quasiclassical trajectory method on two lowest 3A" and 3A' potential energy surfaces at a collision energy of 0.6 eV. The vector properties of different rotational states on the two potential energy surfaces are discussed in detail. The results indicate that the rotational excitation of NO has a considerable influence on the stereodynamic property of reaction occurring on the 3A' potential energy surface, which can be ascribed to the early barrier on this potential energy surface.
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Keywords:
- quasiclassical trajectory /
- vector correlations /
- N+NO /
- rotational excitation
[1] Siskind D E, Rusch D W 1992 J. Geophys. Res. 92 3209
[2] Wennberg P O, Anderson J G, Weisenstein D K 1994 J. Geophys. Res. 99 18839
[3] Marson G 1996 Chem. Soc. Rev. 25 33
[4] Gilibert M, Agiuilar A, González M, Mota F, Sayós R 1992 J. Chem. Phys. 97 5542
[5] Gilibert M, Agiuilar A, González M, Mota F, Sayós R 1993 J. Chem. Phys. 99 1719
[6] Duff J W, Sharma R D 1997 Chem. Phys. Letts. 265 404
[7] Gamallo P, González M, Sayós R 2003 J. Chem. Phys. 118 10602
[8] Gamallo P, González M, Sayós R 2003 J. Chem. Phys. 119 2545
[9] Gamallo P, González M, Sayós R, Petrongolo C 2003 J. Chem. Phys. 119 7156
[10] Gamallo P, Sayós R, González M 2006 J. Chem. Phys. 124 174303
[11] Jorfi M, Honvault P 2009 J. Phys. Chem. A 113 10648
[12] Akpinar S, Armenise I, Defazio P, Esposito F, Gamallo P, Petrongolo C, Sayós R 2012 Chem. Phys. 398 81
[13] Ma J J, Zhang Z H, Cong S L 2006 Acta Phys. Chem. Sin. 22 972 (in Chinese) [马建军, 张志红, 丛书林 2006 物理化学学报 22 972]
[14] Ma J J, Cong S L 2009 J. At. Mol. Phys. 26 1073 (in Chinese) [马建军, 丛书林 2009 原子与分子 26 1073]
[15] Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529
[16] Miranda M P, Clary D C 1997 J. Chem. Phys. 106 4509
[17] Shafer-Ray N E, Orr-Ewing A J, Zare R N 1995 J. Phys. Chem. 99 7591
[18] Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[19] Aoiz F J, Banares L, Herrero V J 1998 J. Chem. Soc., Faraday Trans. 94 2483
[20] Miranda M P, Aoiz F J, Bañares L, Sáez Rábanos V 1999 J. Chem. Phys. 111 5368
[21] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[22] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[23] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. Lett. 357 483
[24] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. 283 463
[25] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[26] Wang P 2011 Acta Phys. Sin. 60 053401 (in Chinese) [王平 2011 60 053401]
[27] Yu Y J, Xu Q, Xu X W 2011 Chin. Phys. B. 20 123402
[28] Liu S L, Shi Y 2011 Chem. Phys. Letts. 501 197
[29] Ge M H, Zheng Y J 2012 Chem. Phys. 392 185
[30] Han K L, He G Z, Lou N Q 1989 J. Chem. Phys. 2 323 (in Chinese) [韩克利, 何国钟, 楼南泉 1989 化学 2 323]
[31] Li R J, Han K L, Li F E, L R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[32] Alexander A J, Aoiz F J, Bañares L, Brouard M, Simons J P 2000 Phys. Chem. Chem. Phys. 2 571
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[1] Siskind D E, Rusch D W 1992 J. Geophys. Res. 92 3209
[2] Wennberg P O, Anderson J G, Weisenstein D K 1994 J. Geophys. Res. 99 18839
[3] Marson G 1996 Chem. Soc. Rev. 25 33
[4] Gilibert M, Agiuilar A, González M, Mota F, Sayós R 1992 J. Chem. Phys. 97 5542
[5] Gilibert M, Agiuilar A, González M, Mota F, Sayós R 1993 J. Chem. Phys. 99 1719
[6] Duff J W, Sharma R D 1997 Chem. Phys. Letts. 265 404
[7] Gamallo P, González M, Sayós R 2003 J. Chem. Phys. 118 10602
[8] Gamallo P, González M, Sayós R 2003 J. Chem. Phys. 119 2545
[9] Gamallo P, González M, Sayós R, Petrongolo C 2003 J. Chem. Phys. 119 7156
[10] Gamallo P, Sayós R, González M 2006 J. Chem. Phys. 124 174303
[11] Jorfi M, Honvault P 2009 J. Phys. Chem. A 113 10648
[12] Akpinar S, Armenise I, Defazio P, Esposito F, Gamallo P, Petrongolo C, Sayós R 2012 Chem. Phys. 398 81
[13] Ma J J, Zhang Z H, Cong S L 2006 Acta Phys. Chem. Sin. 22 972 (in Chinese) [马建军, 张志红, 丛书林 2006 物理化学学报 22 972]
[14] Ma J J, Cong S L 2009 J. At. Mol. Phys. 26 1073 (in Chinese) [马建军, 丛书林 2009 原子与分子 26 1073]
[15] Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529
[16] Miranda M P, Clary D C 1997 J. Chem. Phys. 106 4509
[17] Shafer-Ray N E, Orr-Ewing A J, Zare R N 1995 J. Phys. Chem. 99 7591
[18] Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[19] Aoiz F J, Banares L, Herrero V J 1998 J. Chem. Soc., Faraday Trans. 94 2483
[20] Miranda M P, Aoiz F J, Bañares L, Sáez Rábanos V 1999 J. Chem. Phys. 111 5368
[21] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[22] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[23] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. Lett. 357 483
[24] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. 283 463
[25] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[26] Wang P 2011 Acta Phys. Sin. 60 053401 (in Chinese) [王平 2011 60 053401]
[27] Yu Y J, Xu Q, Xu X W 2011 Chin. Phys. B. 20 123402
[28] Liu S L, Shi Y 2011 Chem. Phys. Letts. 501 197
[29] Ge M H, Zheng Y J 2012 Chem. Phys. 392 185
[30] Han K L, He G Z, Lou N Q 1989 J. Chem. Phys. 2 323 (in Chinese) [韩克利, 何国钟, 楼南泉 1989 化学 2 323]
[31] Li R J, Han K L, Li F E, L R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[32] Alexander A J, Aoiz F J, Bañares L, Brouard M, Simons J P 2000 Phys. Chem. Chem. Phys. 2 571
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