Quantum interference in H + HD → H<sub>2 </sub>+ D between direct abstraction and roaming insertion pathways

doi:10.1126/science.abb1564

GSTDTAP > 气候变化

DOI	10.1126/science.abb1564
	Quantum interference in H + HD → H₂+ D between direct abstraction and roaming insertion pathways
	Yurun Xie; Hailin Zhao; Yufeng Wang; Yin Huang; Tao Wang; Xin Xu; Chunlei Xiao; Zhigang Sun; Dong H. Zhang; Xueming Yang
	2020-05-15
发表期刊	Science
出版年	2020
英文摘要	Quantum interference (QI) effects play a fundamental role in the dynamics of chemical reactions. Xie et al. detected unusual QI oscillations in the differential cross section measured in the recoil scattering direction of the prototypical elementary reaction H + HD → H2 + D (see the Perspective by Aoiz). Topological analysis showed that this pattern originates from the QI between a direct abstraction and previously unknown rebounding insertion pathways, which are affected by the geometric phase at energies far below the conical intersection. The QI observed between these two distinctive pathways in the three-atom system is a clear example of the quantum nature of chemical reactivity. Science , this issue p. [767][1]; see also p. [706][2] Understanding quantum interferences is essential to the study of chemical reaction dynamics. Here, we provide an interesting case of quantum interference between two topologically distinct pathways in the H + HD → H2 + D reaction in the collision energy range between 1.94 and 2.21 eV, manifested as oscillations in the energy dependence of the differential cross section for the H2 ( v ′ = 2, j ′ = 3) product (where v ′ is the vibrational quantum number and j ′ is the rotational quantum number) in the backward scattering direction. The notable oscillation patterns observed are attributed to the strong quantum interference between the direct abstraction pathway and an unusual roaming insertion pathway. More interestingly, the observed interference pattern also provides a sensitive probe of the geometric phase effect at an energy far below the conical intersection in this reaction, which resembles the Aharonov–Bohm effect in physics, clearly demonstrating the quantum nature of chemical reactivity. [1]: /lookup/doi/10.1126/science.abb1564 [2]: /lookup/doi/10.1126/science.abb9148
领域	气候变化 ; 资源环境
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文献类型	期刊论文
条目标识符	http://119.78.100.173/C666/handle/2XK7JSWQ/267721
专题	气候变化资源环境科学
推荐引用方式 GB/T 7714	Yurun Xie,Hailin Zhao,Yufeng Wang,et al. Quantum interference in H + HD → H₂+ D between direct abstraction and roaming insertion pathways[J]. Science,2020.
APA	Yurun Xie.,Hailin Zhao.,Yufeng Wang.,Yin Huang.,Tao Wang.,...&Xueming Yang.(2020).Quantum interference in H + HD → H₂+ D between direct abstraction and roaming insertion pathways.Science.
MLA	Yurun Xie,et al."Quantum interference in H + HD → H₂+ D between direct abstraction and roaming insertion pathways".Science (2020).