Quenching of OH(A~2∑~+) by H_2 through conical intersections: Highly excited products in nonreactive channel

Zhang P.-Y.; Lu R.-F.; Chu T.-S.; Han K.-L.

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Quenching of OH(A~2∑~+) by H_2 through conical intersections: Highly excited products in nonreactive channel

机译：H_2通过圆锥形交点淬灭OH（A〜2∑〜+）：非反应性通道中的高激发产物

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Nonadiabatic quantum scattering calculations have been carried out for the reactive and nonreactive quenching of OH(A~2∑~+) in collisions with molecular H_2 on two new potential energy surfaces of the 1A- and 2A- states. Integral cross sections of the reactive and nonreactive quenching channels and the quantum state distributions of the nonreactive channel have been obtained. The theory reveals a high degree of rotational excitation of the quenched OH(X~2II) products and vibrational excitation of the H_2 products. The calculated results are in good agreement with the existing experimental data. The topography of the potential energy surfaces in the conical intersection regions is provided in order to discuss the origin of the internal excitations of nonreactive products and the branching of the reactive and nonreactive channels.

机译：在1A-和2A-态的两个新势能面上与分子H_2碰撞时，对OH（A〜2∑〜+）的反应性和非反应性猝灭进行了非绝热量子散射计算。已经获得了反应性和非反应性猝灭通道的整体截面以及非反应性通道的量子态分布。该理论揭示了淬火的OH（X〜2II）产物的高度旋转激发和H_2产物的振动激发。计算结果与现有实验数据吻合良好。提供锥形相交区域中的势能表面的形貌，以便讨论非反应性产物的内部激发的起源以及反应性和非反应性通道的分支。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2010年第24期|共4页
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Zhang P.-Y.; Lu R.-F.; Chu T.-S.; Han K.-L.;
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1. Quenching of OH(A~2∑~+) by H_2 through conical intersections: Highly excited products in nonreactive channel [J] . Zhang P.-Y., Lu R.-F., Chu T.-S., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2010,第24期

机译：H_2通过圆锥形交点淬灭OH（A〜2∑〜+）：非反应性通道中的高激发产物
2. Ultrafast photochemistry with two product channels: Wavepacket motion through two distinct conical intersections [J] . Riedle Eberhard, Roos Matthias K., Thallmair Sebastian, Chemical Physics Letters . 2017,第期

机译：UltraFast Photochemistry与两个产品通道：波波皮运动动作通过两个不同的锥形交叉点
3. Reactive quenching of OD A ~2∑+ by H_2: Translational energy distributions for H- and D-atom product channels [J] . Lehman J.H., Bertrand J.L., Stephenson T.A., The Journal of Chemical Physics . 2011,第14期

机译：H_2对OD A〜2∑ +的反应猝灭：H和D原子产物通道的平移能分布
4. Femtosecond Time-resolved Absorption Study on the Origin of the Reactive and Nonreactive Excited States in the Primary Event of Rhodopsins [C] . Chun-fu Chang, Hikaru Kuramochi 日本化学会春季年会講演予稿集 . 2018

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5. Collisional quenching dynamics and reactivity of highly vibrationally excited molecules [D] . Liu, Qingnan 2008

机译：高振动激发分子的碰撞猝灭动力学和反应性
6. Exciplexes and conical intersections lead to fluorescence quenching in π-stacked dimers of 2-aminopurine with natural purine nucleobases [O] . JingXin Liang, Quynh L. Nguyen, Spiridoula Matsika -1

机译：激基和圆锥形相交导致2-氨基嘌呤与天然嘌呤核碱基的π堆叠二聚体发生荧光猝灭
7. Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom [O] . Ming Li, Jacek Kłos, Alexander Petrov, 2020

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8. Semiclassical Study of the Quenching of Excited-State Fluorine Atom by Hydrogen Molecule: Comparison between Reactive and Nonreactive Processes [R] . Yuan, J. M., George, T. F., Skuse, B. M., 1979

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Quenching of OH(A~2∑~+) by H_2 through conical intersections: Highly excited products in nonreactive channel

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