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Citation: Ran Ming, Jiang Gang, Gao Tao, Zhu Zheng-He, Jiang Guo-Qiang, Luo De-Li, Wu Sheng. Molecular Reaction Dynamic for Al(²P_u)+H₂(X¹Σ⁺_g)[J]. Acta Physico-Chimica Sinica, ;2000, 16(08): 694-700. doi: 10.3866/PKU.WHXB20000805 shu

Molecular Reaction Dynamic for Al(²P_u)+H₂(X¹Σ⁺_g)

1.
Institute of Atomic and Molecular Physics,Sichuan University,Sichuan Chengdu 610065

Received Date: 3 November 1999
Available Online: 15 August 2000

Molecular reaction dynamics for the collision Al(2P_u ) +H_2 (X 1 ∑_g+ , v=j=0)has been studied based on the analytical potential energy function of AlH_2(X2 A_1) by using Monte-Carlo quasi-classical trajectory approach. The results for the collision process indicate that the main channel is the exchange reaction Al (2P_u) + H_2 (X 1 ∑_g+, v=j=0)→AIH(X 1 X+, v', j' ) + H(2 S_g ) with product AlH and no complex compound AlH_2(X 2 A_1) was formed. The relation of reactive cross section σ_r, with relative kinetic energy E_t apparently shows that there is a threshold energy of 314KJ• mol-1. Because the mass of aluminium atom is much heavier than that of hydrogen atom, the product AlH distribution is along the direction of the forward scattering.
- AiH₂,
- Molecular reaction dynamic,
- Trajectory calculation method
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Molecular Reaction Dynamic for Al(²P_u)+H₂(X¹Σ⁺_g)