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Quantum control of coherent π˗electron dynamics in aromatic ring molecules
Frontiers in Physics ( IF 1.9 ) Pub Date : 2021-06-23 , DOI: 10.3389/fphy.2021.675134
Hirobumi Mineo , Ngoc-Loan Phan , Yuichi Fujimura

Herein we review a theoretical study of unidirectional π-electron rotation in aromatic ring molecules, which originates from a pair of quasi-degenerate electronic excited states coherently excited by a linearly polarized ultraviolet/visible laser with a properly designed photon polarization direction. Analytical expressions for coherent π-electron angular momentum, ring current and ring current induced-magnetic field are derived in the quantum chemical molecular orbital (MO) theory. The time evolution of the angular momentum and that of the current are expressed by using the density matrix method within Markov approximation or by solving the time-dependent Schrodinger equation. In this review we present the results of the following quantum control scenarios after a fundamental theoretical description of coherent angular momentum, ring current and ring current-induced magnetic field: first, two-dimensional coherent π-electron dynamics in a non-planar (P)-2,2’-biphenol molecule; second, localization of the coherent π-electron ring current to a designated benzene ring in polycyclic aromatic hydrocarbons; third, unidirectional π-electron rotations in low-symmetry aromatic ring molecules based on the dynamic Stark shift of two relevant excited states that form a degenerate state using the non-resonant ultraviolet lasers. The magnetic fields induced by the coherent π-electron ring currents are also estimated, and the position dependence of the magnetic fluxes is demonstrated.

中文翻译:

芳环分子中相干π˗电子动力学的量子控制

在此,我们回顾了芳香环分子中单向 π 电子旋转的理论研究,该旋转源自一对准简并电子激发态,该激发态由具有适当设计的光子偏振方向的线偏振紫外/可见激光相干激发。相干π电子角动量、环电流和环电流感应磁场的解析表达式是在量子化学分子轨道(MO)理论中推导出来的。角动量的时间演变和电流的时间演变通过使用马尔可夫近似内的密度矩阵方法或通过求解与时间相关的薛定谔方程来表示。在这篇综述中,我们在对相干角动量进行了基本理论描述后,展示了以下量子控制场景的结果,环电流和环电流感应磁场:首先,非平面 (P)-2,2'-双酚分子中的二维相干 π 电子动力学;第二,在多环芳烃中将相干 π 电子环电流定位到指定的苯环上;第三,基于使用非共振紫外激光器形成简并态的两个相关激发态的动态斯塔克位移,低对称性芳环分子中的单向 π 电子旋转。还估计了相干 π 电子环电流感应的磁场,并证明了磁通量的位置依赖性。在多环芳烃中将相干 π 电子环电流定位到指定的苯环上;第三,基于使用非共振紫外激光器形成简并态的两个相关激发态的动态斯塔克位移,低对称性芳环分子中的单向 π 电子旋转。还估计了相干 π 电子环电流感应的磁场,并证明了磁通量的位置依赖性。将相干 π 电子环电流定位到多环芳烃中指定的苯环上;第三,基于使用非共振紫外激光器形成简并态的两个相关激发态的动态斯塔克位移,低对称性芳环分子中的单向 π 电子旋转。还估计了相干 π 电子环电流感应的磁场,并证明了磁通量的位置依赖性。
更新日期:2021-06-24
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