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The stereodynamics in the chemical reaction O+ +H2and its isotopic variants at a collision energy of 20 kcal /mol are investigated by using the quasi-classical trajectory (QCT) method on RODRIGO surface. The correlated k- j', k-k'-j' angular distributions, polarization-dependent differential cross sections (PDDCSs) and the product rotational alignment are discussed in detail. The calculations indicate that the stereodynamic properties of the reactions of O+ +H2→OH+ +H、O+ +DH→OD+ +H and O+ +TH→OT++H are sensitive to the mass factor and the repulsive energy of diatomic molecule.
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Keywords:
- stereodynamics /
- quasi-classical trajectory method /
- vector correlation /
- polarization dependent differential cross sections (PDDCSs)
[1] Duley W W, Williams D A 1984 Interstellar Chemistry (New York, Academic) p86
[2] Ng C Y 2002 J. Phys. Chem. A 106 5953
[3] Rodrigo M, Sierra J D, Miguel G 2005 J. Chem. Phys. 123 174312
[4] Xu W W, Liu X G, Zhang Q G 2008 Mol. Phys. 106 14
[5] Xu W W, Liu X G,Luan S X, Sun S S, Zhang Q G 2009 Chin. Phys. B 18 339
[6] Xu W W, Liu X G,Luan S X, Zhang Q G 2009 Chem. Phys. 355 21
[7] Aoiz F J, Herrero V J, Saez-Rabanos V 1992 J. Chem. Phys. 97 7423
[8] Case D E, McClelland G M, Herschbach D R 1978 Mol. Phys. 35 541
[9] Miranda M P, Clary D C 1997 J. Chem. Phys. 106 4509
[10] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[11] Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 20204
[12] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[13] Li W L, Wang M S, Yang C L, Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93
[14] Chu T S, Han K L 2008 Phys. Chem. Chem. Phys. 10 2431
[15] Chen M D, Han K L, Lou N Q 2002 Chem. phys. Lett. 357 483
[16] Han K L, He G Z, Lou N Q 1989 Chin. J. Chem. Phys. 2 323
[17] Liu X Y, Li Q, Jiang G, Zhu Z H, Chen H D, Jin X X, Tang Y J 2000 Acta Phys. Sin. 49 2340 (in Chinese) [刘晓亚、李 权、蒋 刚、朱正和、陈涵德、金行星、唐永建 2000 49 2340] 〖18] Xue W D, Zhu Z H, Ran M, Wang H Y, Zou L X, Sun Y 2002 Acta Phys. Sin.. 51 2503 (in Chinese) [薛卫东、朱正和、冉 鸣、王红艳、邹乐西、孙 颖 2002 51 2503]
[18] Kong H, Liu X G, Xu W W, Liang J J, Zhang Q G 2009 Acta Phys. Sin. 58 250 (in Chinese) [孔 浩、刘新国、许文武、梁景娟、张庆刚 2009 58 250]
[19] Beauchamp J L 1975 Interactions Between Ions and Molecules edited by Ausloos P (New York, Plenum) p413
[20] Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192
[21] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[22] Kong H, Liu X G, Xu W W, Zhang Q G 2009 Acte Phys. -Chem. Sin. 25 935(in Chinese )[孔 浩、刘新国、许文武、张庆刚 2009 物理化学学报 25 935]
[23] Kong H, Liu X G, Xu W W, Zhang Q G 2009 Chin. Phys. Lett. 26 053102
[24] Han K L, He G Z, Lou G Z 1993 Chin. Chem. Lett. 4 517
[25] Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Molecular Physics 107 2579
[26] Rodrigo M, Judith M, Miguel G 2004 J. Chem. Phys. 120 4705
[27] Burley J D, Ervin K M, Armentrout P B 1987 Int. J Mass Spectrom. Ion Process. 80 152
[28] Rodrigo M, Lucas J M, Xavier G, Antonio A, Miguel G 2006 J. Chem. Phys. 124 144301
[29] Rodrigo M, Sierra J D, Stephen K Gray, Miguel G 2006 J. Chem. Phys. 125 164305
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[1] Duley W W, Williams D A 1984 Interstellar Chemistry (New York, Academic) p86
[2] Ng C Y 2002 J. Phys. Chem. A 106 5953
[3] Rodrigo M, Sierra J D, Miguel G 2005 J. Chem. Phys. 123 174312
[4] Xu W W, Liu X G, Zhang Q G 2008 Mol. Phys. 106 14
[5] Xu W W, Liu X G,Luan S X, Sun S S, Zhang Q G 2009 Chin. Phys. B 18 339
[6] Xu W W, Liu X G,Luan S X, Zhang Q G 2009 Chem. Phys. 355 21
[7] Aoiz F J, Herrero V J, Saez-Rabanos V 1992 J. Chem. Phys. 97 7423
[8] Case D E, McClelland G M, Herschbach D R 1978 Mol. Phys. 35 541
[9] Miranda M P, Clary D C 1997 J. Chem. Phys. 106 4509
[10] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[11] Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 20204
[12] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[13] Li W L, Wang M S, Yang C L, Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93
[14] Chu T S, Han K L 2008 Phys. Chem. Chem. Phys. 10 2431
[15] Chen M D, Han K L, Lou N Q 2002 Chem. phys. Lett. 357 483
[16] Han K L, He G Z, Lou N Q 1989 Chin. J. Chem. Phys. 2 323
[17] Liu X Y, Li Q, Jiang G, Zhu Z H, Chen H D, Jin X X, Tang Y J 2000 Acta Phys. Sin. 49 2340 (in Chinese) [刘晓亚、李 权、蒋 刚、朱正和、陈涵德、金行星、唐永建 2000 49 2340] 〖18] Xue W D, Zhu Z H, Ran M, Wang H Y, Zou L X, Sun Y 2002 Acta Phys. Sin.. 51 2503 (in Chinese) [薛卫东、朱正和、冉 鸣、王红艳、邹乐西、孙 颖 2002 51 2503]
[18] Kong H, Liu X G, Xu W W, Liang J J, Zhang Q G 2009 Acta Phys. Sin. 58 250 (in Chinese) [孔 浩、刘新国、许文武、梁景娟、张庆刚 2009 58 250]
[19] Beauchamp J L 1975 Interactions Between Ions and Molecules edited by Ausloos P (New York, Plenum) p413
[20] Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192
[21] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[22] Kong H, Liu X G, Xu W W, Zhang Q G 2009 Acte Phys. -Chem. Sin. 25 935(in Chinese )[孔 浩、刘新国、许文武、张庆刚 2009 物理化学学报 25 935]
[23] Kong H, Liu X G, Xu W W, Zhang Q G 2009 Chin. Phys. Lett. 26 053102
[24] Han K L, He G Z, Lou G Z 1993 Chin. Chem. Lett. 4 517
[25] Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Molecular Physics 107 2579
[26] Rodrigo M, Judith M, Miguel G 2004 J. Chem. Phys. 120 4705
[27] Burley J D, Ervin K M, Armentrout P B 1987 Int. J Mass Spectrom. Ion Process. 80 152
[28] Rodrigo M, Lucas J M, Xavier G, Antonio A, Miguel G 2006 J. Chem. Phys. 124 144301
[29] Rodrigo M, Sierra J D, Stephen K Gray, Miguel G 2006 J. Chem. Phys. 125 164305
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