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Stark shifting the barrier to reaction: Control through using a strong laser field to shape the potential energy surfaces

彻底改变反应障碍：通过使用强激光场塑造势能面进行控制

基本信息

批准号：
EP/G014124/1
负责人：
Graham Worth
金额：
$ 36.15万
依托单位：
University of Birmingham
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2008
资助国家：
英国
起止时间：
2008 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FG014124%2F1
关键词：
Stark shifting barrier reaction Control

项目摘要

The ability to control the evolution of a reaction is a long-standing goal of chemistry. One approach is to use the electric field provided by a laser pulse as the guide. Recent work has focused on shaping and timing the pulse so that the field interacts with the molecules in a particular way to influence the energy flow through the molecule and thus eventually the course of a reaction. The optimal pulse shape is achieved by using a feedback loop , focusing on a signal related to the desired outcome and allowing a computer algorithm to change the pulse shape during repeated cycles of the experiment until the signal is maximised. This optimal control scheme has proved to be able to control a wide range of chemical systems, but the complicated pulse shapes provide little insight into the procedure, and the experiments have a black box nature. A different, very appealing, approach to control through a laser field is to use the field to change the shape of the potential energy surface over which the reaction proceeds. This can be acheived using a strong pulse which induces Stark shifting of the surface. By careful timing of a pulse of the appropriate strength, it has been shown that it is possible to control the products from IBr dissociation by effectively changing the barrier height to the different possible channels.The project aims to investigate theoretically this potentially general approach to laser control. The results should start to build up a picture of how the complicated potential energy surfaces of small molecules are altered by interaction with the field. This will help in the development of experiments and in our understanding of how molecules behave in a light field.

控制反应的演变是化学的一个长期目标。一种方法是使用由激光脉冲提供的电场作为引导。最近的工作集中在对脉冲进行整形和定时，以便场以特定的方式与分子相互作用，从而影响通过分子的能量流，从而最终影响反应过程。最佳脉冲形状是通过使用反馈回路来实现的，该反馈回路关注与期望结果相关的信号，并允许计算机算法在实验的重复循环期间改变脉冲形状，直到信号最大化。这种最优控制方案已被证明能够控制广泛的化学系统，但复杂的脉冲形状提供了很少的洞察过程，实验具有黑箱性质。另一种非常吸引人的通过激光场进行控制的方法是利用激光场来改变反应进行的势能面的形状。这可以使用引起表面的斯塔克位移的强脉冲来实现。通过适当强度的脉冲的仔细定时，已经表明，通过有效地改变不同可能的通道的势垒高度来控制IBr解离的产物是可能的。该项目旨在从理论上研究这种潜在的激光控制的一般方法。这些结果应该开始建立一幅小分子的复杂势能面是如何通过与场的相互作用而改变的图景。这将有助于实验的发展，并有助于我们理解分子在光场中的行为。