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题名: Rainbows and glories in the angular scattering of the state-to-state F + H-2 reaction at E-trans=0.04088 eV
作者: Xiahou, Chengkui1;  Connor, J. N. L.1;  Zhang, Dong H.2, 3
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2011
DOI: 10.1039/c1cp21044k
卷: 13, 期:28, 页:12981-12997
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: State-of-the-art differential cross sections (DCSs) have been reported by Wang et al. [Proc. Nat. Acad. Sci. (U. S.), 2008, 105, 6227] for the state-to-state F + H-2 -> FH + H reaction using fully quantum-state-selected crossed molecular beams. We theoretically analyze the angular scattering of this reaction, in order to quantitatively understand the physical content of structure in the DCSs. Three transitions are studied, v(i) = 0, j(i) = 0, m(i) = 0 -> v(f) = 3, j(f) = 0, 1, 2, m(f) = 0 at a translational energy of 0.04088 eV, where v, j, m are the vibrational, rotational and helicity quantum numbers respectively for the initial and final states. The input to our analyses consists of accurate quantum scattering (S) matrix elements computed for the Fu-Xu-Zhang potential energy surface, as used by Wang et al. in a computational simulation of their experimental DCSs. We prove that the pronounced peak at forward angles observed in the experimental and simulated DCSs for all three transitions is a glory. At larger angles, it is demonstrated that the 000 -> 300 and 000 -> 310 DCSs both possess a broad farside rainbow, which is accompanied by diffraction oscillations. We confirm the conjecture of Wang et al. that these diffraction oscillations arise from nearside-farside (NF) interference. We find that the reaction is N dominant for all three transitions. The theoretical techniques used to analyze the angular scattering include uniform semiclassical theories of glory and of rainbow scattering. We also make the first application of a semiclassical formula that is uniform for both glory + rainbow scattering. In addition, structure in the DCSs is analyzed using NF theory and local angular momentum theory, in both cases with three resummations of the partial wave series for the scattering amplitude. We make the first explicit application of the Thiele rational interpolation formula to extract the position and residue of the leading Regge pole from a set of S matrix elements, thereby making contact with complex angular momentum theories of DCSs, which interpret the angular scattering in terms of Regge resonances. Our calculations complement the exit-valley vibrationally-adiabatic analysis of Wang et al.
关键词[WOS]: DIFFERENTIAL CROSS-SECTIONS ;  NEARSIDE-FARSIDE ANALYSIS ;  REGGE-POLE POSITIONS ;  INELASTIC DIFFRACTION SCATTERING ;  REACTIVE MOLECULAR-COLLISIONS ;  ELEMENTARY CHEMICAL PROCESSES ;  COINCIDENT CLASSICAL TRAJECTORIES ;  STRONGLY ABSORPTIVE COLLISIONS ;  HYDROGEN-EXCHANGE REACTION ;  POTENTIAL-ENERGY SURFACE
语种: 英语
WOS记录号: WOS:000293460400036
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142300
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret & Computat Chem, Dalian 116023, Liaoning, Peoples R China

Recommended Citation:
Xiahou, Chengkui,Connor, J. N. L.,Zhang, Dong H.. Rainbows and glories in the angular scattering of the state-to-state F + H-2 reaction at E-trans=0.04088 eV[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2011,13(28):12981-12997.
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