Influence of light-induced conical intersection on the photodissociation dynamics of D2(+) starting from individual vibrational levels.
Influence of light-induced conical intersection on the photodissociation dynamics of D2(+) starting from individual vibrational levels.
复制标题
从各个振动能级开始，光诱导圆锥形交叉对 D2(·) 光解离动力学的影响。
DOI：
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发表时间：
2014
影响因子：
2.9
通讯作者：
L. Cederbaum
中科院分区：
文献类型：
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作者：
G. Halász;A. Csehi;Á. Vibók;L. Cederbaum
以前的工作表明，通过站立或运行激光波对双原子分子进行修整会引起所谓的光诱导圆锥交叉（LICI）的出现。由于强的非绝热耦合，LICI的存在可能会显著改变分子系统的动力学性质。在我们以前的论文（J. Phys. Chem. A 2013，117，8528）中，在LICI框架中研究了D（2）（+）分子的光解动力学，从电离D（2）最初产生的所有振动态的叠加开始初始振动核子波包。目前的工作补充了我们以前的研究，让初始的核波包从不同的个人振动水平的D（2）（+），特别是以上的能量的LICI。计算并讨论了光碎片的动能释放谱、总解离几率和角分布。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，对光谱的意外结构给出了解释。
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.