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学科主题: 物理化学
题名: Dynamics of resonances and barriers in the F+H2 chemical reaction
作者: Yang XM(杨学明)
会议文集: Conference on Molecular Energy Transfer 2011 Book of Abstracts
会议名称: 2011 Conference on Molecular Energy Transfer
会议日期: 2011-9-11
出版日期: 2011
会议地点: 牛津
其他题名: F+H2 反应体系中的共振和能垒动力学
通讯作者: XuemingYang
出版者: 待补充
出版地: 待补充
合作性质: 特邀报告
部门归属: 1102
主办者: University of Oxford
摘要: In this talk, we describe the most recent progresses in the study of the benchmark F+H2 reaction using quantum-state resolved crossed molecular beams scattering method, in combination with accurate quantum dynamics theory. Experimental evidence of reaction resonances, HF(v=2) forward scattering, has been detected in a full quantum state resolved reactive scattering study of the F+H2 reaction [1]. Highly accurate full quantum scattering theoretical modeling shows that the reaction resonance is caused by two reaction resonance state. Further studies show that quantum interference is present betweent the two reaction resonance states for the forward scattering product. This study is a significant step forward in our understanding of dynamical resonances in the benchmark F+H2 system. Further experimental studies on the effect of H2 rotational excitation on dynamical resonances wre carried out. Dynamical resonances on the F+H2(j=1) reactioin have also been observed [2]. We have also investigated the mechanism of the HF(v=3) forwarding scattering and found out that HF(v=3) forward scattering are primarily due to a slow down mechanism in the exit channel over the centrifugal barriers [3]. A recent study on the F+HD system has also been carried out [4]. The isotope substitution provided an extremely sensitive probe to the reaction resonance potential surface in this important system. Partial wave resolved resonances in a chemical reaction have also been clearly observed in the F+HD reactio nfor the first time [5]. More recently, we have reinvestigated the forward scattering in the F+D2(HD, H2) reactions at higher collision energies, and we have found that the forward scattering of these reactions at higher collision energies is likely due to the time delays over the bottleneck state resonance in the reaction. Such mechanism appears to be quite general for many chemical reactions. References 1. M. Qiu et al, Science 311, 1440(2006). 2. Z. Ren et al, J. Chem. Phys. 125, 151102(2006). 3. X. Wang et al, PNAS 105, 6227(2008). 4. Z. Ren et al, PNAS 105, 12662(2008). 5. W. Dong et al, Science, 327, 1501(2010).
英文摘要: In this talk, we describe the most recent progresses in the study of the benchmark F+H2 reaction using quantum-state resolved crossed molecular beams scattering method, in combination with accurate quantum dynamics theory. Experimental evidence of reaction resonances, HF(v=2) forward scattering, has been detected in a full quantum state resolved reactive scattering study of the F+H2 reaction [1]. Highly accurate full quantum scattering theoretical modeling shows that the reaction resonance is caused by two reaction resonance state. Further studies show that quantum interference is present betweent the two reaction resonance states for the forward scattering product. This study is a significant step forward in our understanding of dynamical resonances in the benchmark F+H2 system. Further experimental studies on the effect of H2 rotational excitation on dynamical resonances wre carried out. Dynamical resonances on the F+H2(j=1) reactioin have also been observed [2]. We have also investigated the mechanism of the HF(v=3) forwarding scattering and found out that HF(v=3) forward scattering are primarily due to a slow down mechanism in the exit channel over the centrifugal barriers [3]. A recent study on the F+HD system has also been carried out [4]. The isotope substitution provided an extremely sensitive probe to the reaction resonance potential surface in this important system. Partial wave resolved resonances in a chemical reaction have also been clearly observed in the F+HD reactio nfor the first time [5]. More recently, we have reinvestigated the forward scattering in the F+D2(HD, H2) reactions at higher collision energies, and we have found that the forward scattering of these reactions at higher collision energies is likely due to the time delays over the bottleneck state resonance in the reaction. Such mechanism appears to be quite general for many chemical reactions. References 1. M. Qiu et al, Science 311, 1440(2006). 2. Z. Ren et al, J. Chem. Phys. 125, 151102(2006). 3. X. Wang et al, PNAS 105, 6227(2008). 4. Z. Ren et al, PNAS 105, 12662(2008). 5. W. Dong et al, Science, 327, 1501(2010).
语种: 英语
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/116151
Appears in Collections:中国科学院大连化学物理研究所_会议论文

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Recommended Citation:
Yang XM. Dynamics of resonances and barriers in the F+H2 chemical reaction[C]. 见:2011 Conference on Molecular Energy Transfer. 牛津. 2011-9-11.
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