RIKEN Research Cluster for Innovation, Nakamura Laboratory, 2-1 Hirosawa Wako, Saitama 351-0198, Japan.
Molecules. 2013 May 2;18(5):5091-103. doi: 10.3390/molecules18055091.
Photochromic diarylethenes (DAEs) are among the most promising molecular switching systems for future molecular electronics. Numerous derivatives have been synthesized recently, and experimental quantum yields (QYs) have been reported for two categories of them. Although the QY is one of the most important properties in various applications, it is also the most difficult property to predict before a molecule is actually synthesized. We have previously reported preliminary theoretical studies on what determines the QYs in both categories of DAE derivatives. Here, reflecting theoretical analyses of potential energy surfaces and recent experimental results, a rational explanation of the general guiding principle for QY design is presented for future molecular design.
光致变色二芳基乙烯（DAE）是最有前途的未来分子电子学中的分子开关系统之一。最近已经合成了许多衍生物，并报道了其中两类的实验量子产率（QY）。尽管 QY 是各种应用中最重要的性质之一，但在实际合成分子之前，它也是最难预测的性质。我们之前已经报告了初步的理论研究，以确定这两类 DAE 衍生物的 QY 是什么决定的。在这里，反映了对势能面的理论分析和最近的实验结果，提出了未来分子设计中 QY 设计的一般指导原则的合理解释。
