The X (X = F, Cl, I) effect on the photoassociation of H+X→HX

The X (X = F, Cl, I) effect on the photoassociation of H+X→HX
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DOI:
10.1142/s0219633615500625
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发表时间:
2015-12
影响因子:
2.4
通讯作者:
W. Gao;Bin‐Bin Wang;Yong‐Chang Han;S. Cong
W. Gao;Bin‐Bin Wang;Yong‐Chang Han;S. Cong
中科院分区:
化学4区
文献类型:
--
作者:
W. Gao;Bin‐Bin Wang;Yong‐Chang Han;S. Cong

文献摘要

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本文通过求解时变薛定谔方程,探讨了HX (X = F, Cl, I)分子基态下的振动态选择性光缔合(PA)。对于三种系统,将v=17的振动能级设为目标状态,考虑不同的初始碰撞动量,计算并比较目标状态的PA概率。研究结果表明,高、高cl体系的PA概率符合frank - condon重叠积分,而高HF体系的PA概率则不符合frank - condon重叠积分。此外,对于高频系统,目标态的PA概率最大,更容易发生多光子跃迁。
This work explores the vibrational state-selective photoassociation (PA) in the ground state of the HX (X = F, Cl, I) molecule by solving the time-dependent Schrodinger equation. For the three systems, the vibrational level of v=17 is set to be the target state and the PA probability of the target state is calculated and compared by considering different initial collision momentums. It is found that the PA probabilities are in accordance with Franck–Condon overlap integral for the HI and HCl systems, but it is not the case for the HF system. Moreover, for the HF system, it is shown that the PA probability of the target state is largest and the multiphoton transition is more likely to occur.