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State-to-state quantum dynamics of O + O-2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions
Sun, Zhigang2,3; Liu, Lan2,3; Lin, Shi Ying1; Schinke, Reinhard4; Guo, Hua1; Zhang, Dong H.2,3
关键词Complex-forming Reactions Isotope Effects Ozone Reactive Scattering
刊名PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
2010-01-12
DOI10.1073/pnas.0911356107
107期:2页:555-558
收录类别SCI
文章类型Article
WOS标题词Science & Technology
类目[WOS]Multidisciplinary Sciences
研究领域[WOS]Science & Technology - Other Topics
关键词[WOS]POTENTIAL-ENERGY SURFACE ; O+O-2 EXCHANGE-REACTION ; DEPENDENT WAVE-PACKET ; REACTIVE SCATTERING ; METASTABLE STATES ; STATISTICAL-MODEL ; RATE COEFFICIENTS ; OZONE FORMATION ; ISOTOPE ; RESONANCES
英文摘要The O + O-2 exchange reaction is a prerequisite for the formation of ozone in Earth's atmosphere. We report here state-to-state differential and integral cross sections for several O + O-2 isotope-exchange reactions obtained by dynamically exact quantum scattering calculations at collision energies relevant to atmospheric conditions. These reactions are shown to be highly nonstatistical, evidenced by dominant forward scattering and deviation of the integral cross section from the statistical limit. Mechanistic analyses revealed that the nonstatistical channel is facilitated by short-lived osculating resonances. The theoretical results provided an in-depth interpretation of a recent molecular beam experiment of the exchange reaction and shed light on the initial step of ozone recombination.
语种英语
WOS记录号WOS:000273559300009
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/142122
专题中国科学院大连化学物理研究所
作者单位1.Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA
2.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Chinese Acad Sci, Ctr Theoret & Computat Chem, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
4.Max Planck Inst Dynam & Selbstorg, D-37073 Gottingen, Germany
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Sun, Zhigang,Liu, Lan,Lin, Shi Ying,et al. State-to-state quantum dynamics of O + O-2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2010,107(2):555-558.
APA Sun, Zhigang,Liu, Lan,Lin, Shi Ying,Schinke, Reinhard,Guo, Hua,&Zhang, Dong H..(2010).State-to-state quantum dynamics of O + O-2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,107(2),555-558.
MLA Sun, Zhigang,et al."State-to-state quantum dynamics of O + O-2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions".PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 107.2(2010):555-558.
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