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Photodissociation Exploration for Near-Visible UV Absorption of Molecular Bromine
?Dong-fang Zhang ,?Bing Zhang*
Author NameAffiliationE-mail
?Dong-fang Zhang State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China; Graduate School of Chinese Academy of Sciences, Beijing 100039, China  
?Bing Zhang* State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China; Graduate School of Chinese Academy of Sciences, Beijing 100039, China bzhang@wipm.ac.cn 
Abstract:
The photodissociation of Br2 was investigated within the near-visible UV absorption band. Based on thepotential curves for the ground and low-lying excited states, the optical cross-sections for the discrete transitions of C1Πu, B3Π+0u, A3Π1u <—X1Σ+g and their total energy absorption spectrum are derived, and the quantum yield of (Br+Br*) channel are determined correspondingly. The one-dimensional Landau-Zener model is used to evaluate the behavior of curve crossing during photodissociation. The results indicate that the influence of nonadiabatic mechanism, which may be caused by the electronic-vibrational interplay between the B and C states, is negligibly small for the (Br+Br*) channel. From the Landau-Zener modeling of the observed product recoil parameter fi(Br+Br), the best-fit value of the coupling matrix element or coupling strength between the diabatic B and C state potentials is obtained.
Key words:  Photodissociation, Time-dependent wave packet, Nonadiabatic mechanism, Landau-Zener model
FundProject:国家自然科学基金
Photodissociation Exploration for Near-Visible UV Absorption of Molecular Bromine
张东方,张冰*
摘要:
对Br2分子在可见-近紫外吸收带的光解离行为进行了研究. 运用波包动力学方法在ab initio势能面的基础上获得了分立电子态的激发截面和电子态跃迁的吸收光谱,同时也确定了溴原子碎片的相对量子产额. 对解离途径中可能涉及到的非绝热机制进行了考察.结果表明, 电子-振动耦合作用对(Br*+Br)产物通道的影响是可以忽略的,并借助于Landau-Zener模型获得了两个不同对称性的电子态B3Π+0u和C1Πu之间的耦合强度.
关键词:  光解动力学,含时波包,非绝热机制,Landau-Zener模型
DOI:10.1088/1674-0068/21/01/12-20
分类号: