The Development of Novel Molecular Response by Synchronization of Dynamic Structural Conversion and Electron Transfer of Coordination Compound

在几种可能的状态中选择一种特定的电子排列是调节分子响应的有力工具，例如磁性或光学响应。此外，这些电子排列可以归因于每个分子，这意味着信息可以被划分为单独的分子。我们的研究旨在创建一种在多中心氧化还原体系中安排电子的力学方法。我们选择了最简单的连续机制，即在铜(II/I)配位结构中固定位置的旋转。配位环境提供了两个优点，一是旋转运动引起配位结构的变化，显著影响金属中心的氧化还原电势；二是通过旋转轨迹形成配位键形成双极小势，使我们能够捕获具有足够热稳定性的两个不同的电子态。在此基础上，估算了旋光异构体的转化率，论证了旋光与电动势的同步性、旋光引发的分子内电子转移和光诱导旋光。

To select a certain electronic arrangement among several possible states is a powerful tool to tune the molecular responses such as magnetic or optical ones. Moreover, those electron arrangements can attribute to the each molecules, which means the information can be divided into the individual molecules. Our study aims to create a mechanic approach to arrange an electron within a multi-centered redox system.We chose the simplest continuous mechanics, a rotation at the fixed position within a Cu(II/I) coordination structure. The coordination environment provides twofold advantages, i)the rotational motion induces the coordination structural change, which significantly affects the redox potential of the metal center, ii) The coordination-bond formation through a rotation trail makes a double-minimum potential, enable us to trap a two different electronic states with enough thermal stability. Based on this basic structure, we evaluated the conversion rate of rotation isomer, and demonstrated the synchronization of rotation and electromotive force, intramolecular electron transfer triggered with rotational motion, and photoinduced rotation.