Vibrationally Excited OD Radicals from the Reaction of Oxygen Atoms with Chemisorbed Deuterium on Tungsten

H. K. Shin

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Vibrationally Excited OD Radicals from the Reaction of Oxygen Atoms with Chemisorbed Deuterium on Tungsten

机译：氧原子与钨在化学吸附氘反应中的振动激发OD自由基

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The possibility of producing highly excited OD radicals in the reaction of gas-phase atomic oxygen with deuterium chemisorbed on a tungsten surface has been explored using classical trajectory procedures. The many-body nature of the gas-surface reaction is explicitly considered in constructing a potential energy surface. Nearly all reactive events occur in a direct collision on a subpicosecond scale. The vibrational population distribution of OD radicals is found to be inverted, with the highest population appearing at vibrational level 6. The Eley-Rideal mechanism can account for these results. The calculations are carried out at the gas and surface temperatures of 1000 and 300 K, respectively, where the probability of OD formation is 0.12.

机译：已经使用经典的轨迹程序探索了在气相原子氧与化学吸附在钨表面的氘反应中产生高度激发的OD自由基的可能性。在构造势能表面时，明确考虑了气体表面反应的多体性质。几乎所有反应性事件都发生在皮秒级以下的直接碰撞中。发现OD自由基的振动总体分布是倒置的，最高的总体出现在振动水平6上。Eley-Rideal机制可以解释这些结果。分别在1000和300 K的气体和表面温度下进行计算，其中OD形成的可能性为0.12。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |1998年第16期|共9页
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H. K. Shin;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Vibrationally Excited OD Radicals from the Reaction of Oxygen Atoms with Chemisorbed Deuterium on Tungsten [J] . H. K. Shin The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 1998,第13期

机译：氧原子与钨在化学吸附氘反应中的振动激发OD自由基
2. Ultracold collisions and reactions of vibrationally excited OH radicals with oxygen atoms [J] . Juan Carlos Juanes-Marcos, Goulven Quemener, Brian K. Kendrick Physical chemistry chemical physics: PCCP . 2011,第42期

机译：超冷碰撞和振动激发的OH自由基与氧原子的反应
3. HBr Formation from the Reaction between Gas-phase Bromine Atom and Vibrationally Excited Chemisorbed Hydrogen Atoms on a Si(001)-(2 x 1) Surface [J] . J.Ree, S.H.Yoon, K.G.Park, Bulletin of the Korean Chemical Society . 2004,第8期

机译：Si（001）-（2 x 1）表面上气相溴原子与振动激发的化学吸附氢原子之间的反应形成HBr
4. The reaction of allyl radicals with oxygen atoms-rate coefficient and product branching [C] . Karlheinz Hoyermann, Frank Nacke, Joerg Nothdurft, Proceedings of the Combustion Institute . 2009

机译：烯丙基与氧原子速率系数和产物支化的反应
5. Mode- and bond-selected reactions of vibrationally excited methane and monodeuterated methane with chlorine atoms. [D] . Yoon, Sangwoon. 2003

机译：振动激发的甲烷和单氘代甲烷与氯原子的模式选择和键选择反应。
6. A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional state-to-state quantum dynamics investigation [O] . Shu Liu, Dong H. Zhang 2016

机译：H原子与振动激发的H2O反应的局部模式图：一维全状态量子动力学研究
7. Dynamics of the reactions of muonium and deuterium atoms with vibrationally excited hydrogen molecules: Tunneling and vibrational adiabaticity [O] . Jambrina, P.G., García, Ernesto, Herrero, Víctor J., 2013

机译：mu和氘原子与振动激发的氢分子的反应动力学：隧穿和振动绝热
8. Dioxododecaisopropoxytetratungsten. Oxygen Atom Abstraction from Acetone in Reactions with Hexaisopropoxyditungsten (M=M). [R] . Blatchford, T. P., Chisholm, M. H., Folting, K., 1984

机译：Dioxododecaisopropoxytetratungsten。用六异丙氧基二苯醚（m = m）与丙酮反应得到氧原子。

Vibrationally Excited OD Radicals from the Reaction of Oxygen Atoms with Chemisorbed Deuterium on Tungsten

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