Analysis and controlling of the spin-chemistry of charge separated states in molecular dyads and triads

自由基对的自旋化学不仅在鸟类的光合作用或磁罗盘中起着重要的作用，而且在许多光电子器件中也扮演着重要的角色。本项目的目的是研究分子二元体和三元体中的交换相互作用对分子参数的依赖关系。交换相互作用是描述两个自旋轴承单元的非经典相互作用(与具有经典相似的磁偶极-偶极相互作用相反)的中心参数。这种相互作用可以解释自旋相关自由基对的时间演化。因此，更深入地了解交换相互作用对于优化光电子工艺是至关重要的。虽然交换相互作用的距离依赖于指数规律，但人们对分子参数的依赖关系知之甚少，例如自旋承载单元的取向或连接自旋中心的桥的化学和电子性质。因此，这些方面都是我们项目的重点。通过对自旋化学的深入了解，我们希望能够更好地控制分子体系中的电子转移过程。

The spin chemistry of radical pairs plays an important role in photosynthesis or the magnetic compass of birds but also in many optoelectronic devices such as OLEDs.The goal of this project is to investigate the dependence of the exchange interaction in molecular dyads and triads on molecular parameters. The exchange interaction is a central parameter which describes the nonclassical interaction (in contrast to the magnetic dipole-dipole interaction which has a classical analogue) of two spin bearing units. This interaction can be responsible for the time evolution of spin-correlated radical pairs. A deeper understanding of the exchange interaction thus is of utmost importance for the optimisation of optoelectronic processes. While the distance dependence of the exchange interaction follows an exponential law, not much is known about the dependence on molecular parameters such as the orientation of spin bearing units or the chemical and electronic nature of the bridge, which connects the spin centres. Therefore, these aspects are in focus of our project. By a deeper understanding of the spin chemistry we hope to be able to better control electron transfer processes in molecular systems.