Collaborative Research: Infra-Red Control of Electron Transfer Mechanisms

该合作研究项目由化学学部化学结构、动力学和机理B项目资助，由杜克大学化学系的David Beratan和Peng Zhang教授以及杜兰大学化学系的Igor Rubtsov教授共同完成。本研究的目的是利用理论、建模、模拟、分子设计、合成和光谱学来研究分子尺度上的电子转移实验。这些研究的短期回报将是对如何通过操纵光来积极改变化学相互作用的基本理解。长期的结果可能包括开发具有量子力学行为的新型功能材料。该项目的更广泛影响来自于在量子动力学、光谱学和电子转移过程的界面上对年轻科学家进行跨学科主题的教育。学生将接受跨学科合作研究团队的培训，熟练掌握化学、材料和物理学的基本知识，并在量子科学中有潜在的应用前景。双缝式实验显示了物质的双粒子波性质。这个跨学科的研究项目探索电子如何通过共价有机结构传播，揭示双缝电子传输现象。“狭缝”是通过定制的化学合成来实现的，并将使用新型可见光、紫外和红外频率瞬态光谱的组合来切换和探测分子中相干双狭缝式电子传输。结构的振动激发将用于打开/关闭电子耦合途径，从而引起电子通量的大变化。这种开关对分子的对称性和正模结构很敏感。该项目在分子框架中探索量子力学的核心谜题，与传感、通信和能源科学的材料有着重要的未来联系。跨学科团队的紧密合作将通过定制的双缝式分子结构设计、合成、测量和分析电子传播。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

This collaborative research project, funded by the Chemical Structure, Dynamics & Mechanisms B Program of the Chemistry Division, is being carried out by Professors David Beratan and Peng Zhang of the Department of Chemistry at Duke University, and Igor Rubtsov of the Department of Chemistry at Tulane University. The goal of this research is to use theory, modeling, simulation, molecular design, synthesis, and spectroscopy to investigate electron-transfer experiments at the molecular scale. The short-term payoff of these studies will be a fundamental understanding of how to actively change chemical interactions by manipulating light. Longer-term results may include the development of novel functional materials with behaviors that are fundamentally quantum mechanical in origin. The broader impacts of the project are derived from educating young scientists on interdisciplinary topics at the interface of quantum dynamics, spectroscopy and electron transfer processes. Students will be trained to work in collaborative interdisciplinary research teams, developing fluency in elements of chemistry, matierals and physics with potential future applications in quantum science.Double-slit style experiments manifest the dual particle-wave nature of matter. This interdisciplinary research project explores how electronic propagation through covalent organic structures reveals double-slit electron transmission phenomena. The “slits” are realized through customized chemical synthesis, and a combination of novel visible, ultraviolet and infra-red frequency transient spectroscopies will be used to switch and to probe coherent double-slit style electron transmission through molecules. Vibrational excitation of the structures will be used to turn on/off electronic coupling pathways, thus inducing large changes in electron fluxes. The switching will be sensitive to the symmetry and normal mode structure of the molecules. The project explores the core enigma of quantum mechanics in the framework of molecules, with important future links to materials for sensing, communications, and energy science. The intensive collaboration of an interdisciplinary team will design, synthesize, measure, and analyze electronic propagation through customized double-slit style molecular structures.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.