Quantum control of photo-chemical isomerization

光化学异构化的量子控制

基本信息

批准号：
13640497
负责人：
FUJIMURA Yuichi
金额：
$ 2.43万
依托单位：
Tohoku University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
2001
资助国家：
日本
起止时间：
2001 至 2002
项目状态：
已结题

项目摘要

We have proposed control scenarios for isomerizations that play an important role in photochemical reactions. The basic idea of the quantum control originates from an optimal control theory that was developed in our group. We have applied the control theory to two types of photochemical reactions; IR pulse-induced isomerization of difluorobenzo[c]phenanthrene, and visible laser induced trans-cis isomerization of the retinal chromophore in bacteriorhodopsin.1. Difluorobenzo[c]phenanthrene has herical, molecular chirality. Most of control theories of molecular chirality were restricted to simple systems such as one-dimensional systems with axial chirality. The initial system was assumed to be in an equal mixture of M- and P-forms (racemic mixture). Pure M-form chiral molecules are formed from a racemic mixture by designed two linearly polarized IR laser pulses. These components are p-phase-shifted when the representative points of the isomerization is transferred to the target position a … More long the intrinsic reaction path, while the other representative point remains in its initial potential regime. This results in one-way isomerization control. The research of the molecular chirality control reported here is the first step toward the establishment of a method for controlling herical changes in biomolecules such as DNA.2. A trans-cis isomerization of retinal is a typical example of the potential crossing between the ground and excited states, in which non-adiabatic couplings play an essential role. We have clarified the effects of non-adiabatic couplings on an optimal pathway for the photoisomerization to obtain the control scenario. For this purpose, we considered two cases, strong- and medium-coupling cases. In the former case, most of the initial population of the Franck-Condon packet adiabatically switches to another diabatic potential after initially passing the crossing point. In the latter case, on the other hand, the half of the initial population remains in the original diabatic potential, which is due to non-adiabatic couplings. Less

我们已经提出了在光化学反应中起重要作用的异构化的控制场景。量子控制的基本思想源自我们小组中开发的最佳控制理论。我们已经将控制理论应用于两种类型的光化学反应。 IR脉冲诱导的dibluorobenzo [C]菲的异构化和可见的激光诱导的型型型型在细菌hopopsin中的残留发色团的异构化。1。 Divluorobenzo [c] emanththene具有遗传性的分子手性。分子手性的大多数控制理论仅限于简单系统，例如具有轴向手性的一维系统。假定初始系统处于M-和P形式的相等混合物（外星人混合物）。纯M形分子是由设计的两种线性极化IR激光脉冲由外星体混合物形成的。当异构化的表示点转移到目标位置A…更长的固有反应路径时，这些组件会变为p阶段，而另一个代表点仍处于其初始电位状态。这导致单向异构化控制。在此报告的分子手性控制的研究是建立一种控制生物分子（例如DNA.2）的方法变化方法的第一步。视网膜的反式cis异构化是地面和激发状态之间潜在交叉的典型例子，在该状态下，非绝热耦合起着至关重要的作用。我们已经阐明了非绝热耦合对光异构化以获得控制场景的最佳途径的影响。为此，我们考虑了两种情况，即强和中耦合案例。在前一种情况下，最初通过过境点后，弗朗克 - 康登包包绝热潜力的大多数初始人口。另一方面，后一种情况是，初始种群的一半仍然存在于原始的绝热潜力中，这是由于非绝热耦合所致。较少的