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Cross sections for vibrational inhibition at low collision energies for the reaction H + Li2 (X1Σg+) → Li + LiH (X1Σ+)
被引:37
作者:
Gao, Shoubao
[1
]
Zhang, Jing
[1
]
Song, Yuzhi
[1
]
Meng, Qing-Tian
[1
]
机构:
[1] Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Peoples R China
基金:
中国博士后科学基金;
中国国家自然科学基金;
关键词:
BIMOLECULAR EXCHANGE-REACTION;
QUANTUM WAVE-PACKET;
STATE;
LI2H;
SURFACES;
SCATTERING;
DYNAMICS;
D-2;
D O I:
10.1140/epjd/e2015-50772-9
中图分类号:
O43 [光学];
学科分类号:
070207 ;
0803 ;
摘要:
A time-dependent wave packet dynamics study of the H + Li-2 reaction has been performed on the novel HLi2(X(2)A') potential energy surface [Y.Z. Song, Y.Q. Li, S.B. Gao, Q.T. Meng, Eur. Phys. J. D 68, 1 (2014)]. The v-dependent reaction probabilities and integral cross sections are presented as a function of collision energies. From the v-dependent behaviour of integral cross sections, it can be seen that the vibrational excitation of the reactant Li-2 hinders the reactivity at low collision energies. Furthermore, the comparison of j-dependent reaction probabilities indicates that Li-2 rotation also hinders the reaction.
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页数:6
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