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Chemical reaction dynamics of Rydberg atoms with neutral molecules: A comparison of molecular-beam and classical trajectory results for the H(n)+D-2 -> HD+D(n ') reaction
Song, H; Dai, DX; Wu, GR; Wang, CC; Harich, SA; Hayes, MY; Wang, XY; Gerlich, D; Yang, XM; Skodje, RT
刊名JOURNAL OF CHEMICAL PHYSICS
2005-08-15
DOI10.1063/1.1998807
123期:7
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]SEMIQUANTAL THEORY ; ENERGY COLLISIONS ; HIGH-N ; SCATTERING ; INTERMEDIATE ; EXCHANGE ; SYSTEM ; STATES ; TRANSITIONS ; IONIZATION
英文摘要Recent molecular-beam experiments have probed the dynamics of the Rydberg-atom reaction, H(n)+D-2 -> HD+D(n) at low collision energies. It was discovered that the rotationally resolved product distribution was remarkably similar to a much more limited data set obtained at a single scattering angle for the ion-molecule reaction H++D-2 -> D++HD. The equivalence of these two problems would be consistent with the Fermi-independent-collider model (electron acting as a spectator) and would provide an important new avenue for the study of ion-molecule reactions. In this work, we employ a classical trajectory calculation on the ion-molecule reaction to facilitate a more extensive comparison between the two systems. The trajectory simulations tend to confirm the equivalence of the ion+molecule dynamics to that for the Rydberg-atom+molecule system. The theory reproduces the close relationship of the two experimental observations made previously. However, some differences between the Rydberg-atom experiments and the trajectory simulations are seen when comparisons are made to a broader data set. In particular, the angular distribution of the differential cross section exhibits more asymmetry in the experiment than in the theory. The potential breakdown of the classical model is discussed. The role of the "spectator" Rydberg electron is addressed and several crucial issues for future theoretical work are brought out. (c) 2005 American Institute of Physics.
语种英语
WOS记录号WOS:000231449700025
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/139674
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Univ Calif Berkeley, Dept Chem, Berkeley, CA 94620 USA
3.Univ Colorado, Dept Chem, Boulder, CO 80309 USA
4.Tech Univ Chemnitz, Inst Phys, D-09107 Chemnitz, Germany
5.Acad Sinica, Inst Atom & Mol Sci, Taipei, Taiwan
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Song, H,Dai, DX,Wu, GR,et al. Chemical reaction dynamics of Rydberg atoms with neutral molecules: A comparison of molecular-beam and classical trajectory results for the H(n)+D-2 -> HD+D(n ') reaction[J]. JOURNAL OF CHEMICAL PHYSICS,2005,123(7).
APA Song, H.,Dai, DX.,Wu, GR.,Wang, CC.,Harich, SA.,...&Skodje, RT.(2005).Chemical reaction dynamics of Rydberg atoms with neutral molecules: A comparison of molecular-beam and classical trajectory results for the H(n)+D-2 -> HD+D(n ') reaction.JOURNAL OF CHEMICAL PHYSICS,123(7).
MLA Song, H,et al."Chemical reaction dynamics of Rydberg atoms with neutral molecules: A comparison of molecular-beam and classical trajectory results for the H(n)+D-2 -> HD+D(n ') reaction".JOURNAL OF CHEMICAL PHYSICS 123.7(2005).
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