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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Influence of Light-Induced Conical Intersection on the Photodissociation Dynamics of D-2(+) Starting from Individual Vibrational Levels
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Influence of Light-Induced Conical Intersection on the Photodissociation Dynamics of D-2(+) Starting from Individual Vibrational Levels

机译：从单个振动水平开始，光诱导圆锥形交叉点对D-2（+）光解离动力学的影响

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摘要

Previous works have shown that dressing of diatomic molecules by standing or by running laser waves gives rise to the appearance of so-called light-induced conical intersections (LICIs). Because of the strong nonadiabatic couplings, the existence of such LICIs may significantly change the dynamical properties of a molecular system. In our former paper (J. Phys. Chem. A 2013, 117, 8528), the photodissociation dynamics of the D-2(+) molecule were studied in the LICI framework starting the initial vibrational nuclear wave packet from the superposition of all the vibrational states initially produced by ionizing D-2. The present work complements our previous investigation by letting the initial nuclear wave packets start from different individual vibrational levels of D-2(+), in particular, above the energy of the LICI. The kinetic energy release spectra, the total dissociation probabilities, and the angular distributions of the photofragments are calculated and discussed. An interesting phenomenon has been found in the spectra of the photofragments. Applying the light-induced adiabatic picture supported by LICI, explanations are given for the unexpected structure of the spectra.
机译：以前的工作表明，通过站立或通过运行激光波对双原子分子进行修整会产生所谓的光诱导圆锥形交叉点（LICI）。由于强烈的非绝热偶联，此类LICI的存在可能会显着改变分子系统的动力学性质。在我们以前的论文中（J. Phys。Chem。A 2013，117，8528），研究了D-2（+）分子在LICI框架中的光解离动力学，从所有原子的叠加开始初始振动核波包最初通过电离D-2产生的振动状态。本工作通过使初始核波包从D-2（+）的不同单个振动水平开始，特别是在LICI的能量之上，对我们的先前研究进行了补充。计算并讨论了动能释放光谱，总离解概率和光碎片的角分布。在光碎片的光谱中发现了一个有趣的现象。应用LICI支持的光致绝热图像，对光谱的意外结构进行了解释。

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