论文标题
XUV飞秒脉冲的光电离时，金刚石素的解离动力学
Dissociation dynamics of the diamondoid adamantane upon photoionization by XUV femtosecond pulses
论文作者
论文摘要
这项工作提出了使用极端紫外线飞秒脉冲对金刚石的阿甘烷进行的光解离研究。通过使用高级离子和电子光谱，可以访问离解通道及其能量学，从而揭示了腐蚀性的碎片化动力学。为了深入了解碎裂动力学，我们使用一种结合势能表面确定，统计碎片方法和分子动力学模拟的理论方法。我们证明，阿甘坦裂解的解离动力学发生在两个步骤的过程中：无障碍物开口，然后是库仑排斥驱动的碎片。
This work presents a photodissociation study of the diamondoid adamantane using extreme ultraviolet femtosecond pulses. The fragmentation dynamics of the dication is unraveled by the use of advanced ion and electron spectroscopy giving access to the dissociation channels as well as their energetics. To get insight into the fragmentation dynamics, we use a theoretical approach combining potential energy surface determination, statistical fragmentation methods and molecular dynamics simulations. We demonstrate that the dissociation dynamics of adamantane dications takes place in a two-step process: barrierless cage opening followed by Coulomb repulsion-driven fragmentation.
