Infra-red Control of Inelastic Electron Transfer: Toward a Unimolecular Double-Slit Experiment

杜克大学的David N. Beratan在理论和计算化学项目的支持下，设计、分析和解释具有桥定域振动模式的分子中的非弹性电子转移动力学。他正在发展分子内非弹性电子隧穿的解释性和预测性描述，在各种分子中包含电子供体、刚性桥和电子受体。这项工作是与杜兰大学的Rubtsov实验小组合作进行的，目的是研究双缝电子传输实验和分子电子转移问题之间的相似性。目标是定义新的方案来控制电子转移，并开发方法来操纵分子介导的电子耦合的强度。这项工作在发展直觉方面有着广泛的影响，可能会导致光通信和太阳能收集方面的应用。PI通过向经济上处于不利地位和历史上代表性不足的群体提供夏季研究机会来促进科学教育。为一年级学生开设的新课程群正在开发中，旨在研究科学的基本哲学基础。

David N. Beratan of Duke University is supported by the Theoretical and Computational Chemistry Program to design, analyze and interpret inelastic electron-transfer kinetics in molecules with bridge-localized vibrational modes. He is developing interpretive and predictive descriptions of intramolecular inelastic electron-tunneling in a variety of molecules containing an electron donor, a rigid bridge, and an electron acceptor. This work is in collaboration with the experimental group of Rubtsov at Tulane to examine analogies between the double slit electron transmission experiment and the molecular electron-transfer problem. The goal is to define new schemes to control electron transfer and to develop approaches to manipulate the strength of molecule-mediated electronic coupling. This work is having a broad impact in developing intuition that may lead to applications in optical communication and solar energy harvesting. The PI is promoting science education by providing summer research opportunities to economically disadvantaged and historically underrepresented groups. A new course cluster for first-year students is under development to examine the fundamental philosophical foundations of science.