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题名: State-to-state quantum dynamics of O + O-2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions
作者: 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
发表日期: 2010-01-12
DOI: 10.1073/pnas.0911356107
卷: 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
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.
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
语种: 英语
WOS记录号: WOS:000273559300009
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142122
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 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

Recommended Citation:
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.
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