Influence of collision energy and reagent vibrational excitation on the stereodynamics of reaction Ar+H2+→ArH++H

Hu Mei; Liu Xin-Guo; Tan Rui-Shan

doi:10.7498/aps.63.023402

Abstract

The quasi-classical trajectory is calculated for the reaction Ar+H2+→ArH++H (12A’) on the latest potential surface. The correlated integral reaction cross section, P(θr), P(φr) distribution and the polarization dependent differential cross sections polariztion dependent differential cross sections (PDDCSs) are discussed in detail. The results show that the integral reaction cross sections are well consistent with the experimental values at different collision energies and reagent vibrational excitations which indicates that our potential energy surface is accurate. The results indicate that the vibration excitation has less influence on the P(θr) distribution than the collision energy. The P(φr) distribution, and PDDCS are quite sensitive to collision energy and reagent vibrational excitation.

Keywords:

Authors and contacts

1.
College of Physics and Electronics, Shandong Normal University, Jinan 250014, China
Funds: Project supported by the National Natural Science Foundation of China (Grant No. 11274205).

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[26]	Zhang W Q, Li Y Z, Xu X S, Chen M D 2010 Chem. Phys. 367 115
[27]	Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Mol. Phys. 107 2579
[28]	Zhang C H, Zhang W Q, Chen M D 2009 J. Theor. Comput. Chem. 8 403
[29]	Aguado A, Paniagua M 1992 J. Chem. Phys. 96 1265
[30]	Aguado A, Tablero C, Paniagua M 1998 Comp. Phys. Commun. 108 259
[31]	Li W L, Wang M S, Yang C L, Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93
[32]	Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[33]	Chen M D, Han K L, Lou N Q 2002 Chem. Phys. 283 463
[34]	Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529
[35]	Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[36]	Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
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[38]	Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
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[40]	Chu T S, Zhang Y, Han K L 2006 Int. Rev. Phys. Chem. 25 201
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Cited By

[1]	Jorfi M, Honvault P 2011 J. Phys. Chem. A 115 8791
[2]	Campbell F M, Browning R, Latimer C J 1980 J. Phys. B 13 4257
[3]	Latimer C J, Campbell F M 1982 J. Phys. B 15 1765
[4]	Bilotta R M, Preuninger F N, Farrar J M 1980 J. Chem. Phys. 73 1637
[5]	Bilotta R M, Preuninger F N, Farrar J M 1980 Chem. Phys. Lett. 74 95
[6]	Bilotta R M, Farrar J M 1981 J. Chem. Phys. 74 1699
[7]	Houle F A, Anderson S L, Gerlich D, Turner T, Lee Y T 1982 J. Chem. Phys. 77 748
[8]	Houle F A, Anderson S L, Gerlich D, Turner T, Lee Y T 1981 Chem. Phys. Lett. 82 392
[9]	Liao C L, Xu R, Flesch G D, Bear M, Ng C Y 1990 J. Chem. Phys. 93 4818
[10]	Liao C L, Liao C X, Ng C Y 1985 J. Chem. Phys. 82 5489
[11]	Liao C L, Xu R, Shao G D, Nourbakhsh S, Flesch G D, Baer M, Ng C Y 1990 J. Chem. Phys. 93 4832
[12]	Ng C Y 1992 Adv. Chem. Phys. 82 401
[13]	Dressler R A, Chiu Y, Levandier D J, Tang X N, Hou Y, Chang C, Houchins C, Xu H, Ng C Y 2006 J. Chem. Phys. 125 132306
[14]	Qian X, Zhang T, Chiu Y, Levandier D J, Miller J S, Dressler R A, Ng C Y 2003 J. Chem. Phys. 118 2455
[15]	Kuntz P J, Roach A C 1972 J. Chem. Soc. 68 259
[16]	Bear M, Beswick J A 1979 Phys. Rev. A 19 1559
[17]	Chapman S 1985 J. Chem. Phys. 82 4033
[18]	Aguillon F, Sizun M 1997 J. Chem. Phys. 106 9551
[19]	Liu X G, Liu H R, Zhang Q G 2011 Chem. Phys. Lett. 507 24
[20]	Hu M, Xu W W, Liu X G, Tan R S, Li H Z 2013 J. Chem. Phys. 138 174305-1
[21]	Liu X G, Sun H Z, Liu H R, Zhang Q G 2010 Acta Phys. Sin. 59 779 (in Chinese) [刘新国, 孙海竹, 刘会荣, 张庆刚 2010 物理学报 59 779]
[22]	Xiao J, Yang C L, Wang M S 2012 Chin. Phys. B 21 043101
[23]	Liu Y F, He X H, Shi D H, Sun J F 2011 Chin. Phys. B 20 078201
[24]	Kong H, Liu X G, Xu W W, Liang J J, Zhang Q G 2009 Acta Phys. Sin. 58 6926 (in Chinese) [孔浩, 刘新国, 许文武, 梁景娟, 张庆刚 2009 物理学报 58 6926]
[25]	Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192
[26]	Zhang W Q, Li Y Z, Xu X S, Chen M D 2010 Chem. Phys. 367 115
[27]	Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Mol. Phys. 107 2579
[28]	Zhang C H, Zhang W Q, Chen M D 2009 J. Theor. Comput. Chem. 8 403
[29]	Aguado A, Paniagua M 1992 J. Chem. Phys. 96 1265
[30]	Aguado A, Tablero C, Paniagua M 1998 Comp. Phys. Commun. 108 259
[31]	Li W L, Wang M S, Yang C L, Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93
[32]	Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[33]	Chen M D, Han K L, Lou N Q 2002 Chem. Phys. 283 463
[34]	Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529
[35]	Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[36]	Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[37]	Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[38]	Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[39]	Zhang X, Han K L 2006 Int. Quantum Chem. 106 1815
[40]	Chu T S, Zhang Y, Han K L 2006 Int. Rev. Phys. Chem. 25 201
[41]	Liao C L, Xu R, Flesch G D, Baer M, Ng C Y 1990 J. Chem. Phys. 93 4822
[42]	Chu T S, Han K L 2008 Phys. Chem. Chem. Phys. 10 2438
[43]	Han K L, He G Z, Lou N Q 1989 Chin. J. Chem. Phys. 2 323

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Vol. 63, Issue 2 - 2014-01-20

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