Metal Complexes Of Donor-Bridge-Acceptor Biradical Ligands: From Nanoscopic Electron Correlation To Inhibition Of Back Electron Transfer

在这个由美国国家科学基金会化学部化学合成计划（SYN）资助的项目中，大卫A。北卡罗来纳州州立大学的舒尔茨和他的学生正在研究在自然界和分子电子学中普遍存在的供体-受体相互作用。 这一领域的研究包括大量的努力，旨在了解分子桥（B）片段如何促进供体（D）和受体（A）之间的电子转移，特别是在长距离上。 本项目将展示半醌-硝基氮氧化物（SQ-B-NN）D-B-A双自由基配体中的电子自旋交换耦合如何用于揭示有关电子耦合矩阵元素的关键结构-性质关系，阐明这些基本的结构-性质关系可以导致我们对分子中电子转移/传输的理解的重大进展。的器件，并提出了新的分子结构，这种设备。拟议的研究旨在制备和表征分子，旨在澄清和推进我们的理解，电子是如何从一个分子的一部分转移到另一个。 电子转移在两种性质中普遍存在（例如，光合作用）和市场（电子设备）。 这些结果将促进我们对控制电子转移的分子内相互作用的理解，并可能彻底改变电子学分子的设计。 该研究领域为学生在分子设计，合成，光谱学和理论领域提供了良好的培训。 此外，PI将支持来自当地HBCU的学生进行夏季研究。

In this project funded by the Chemical Synthesis program (SYN) of NSF's Division of Chemistry, Professor David A. Shultz of the North Carolina State University and his students are investigating donor-acceptor interactions that are ubiquitous in both nature and in molecular electronics. Research in this area includes a wealth of effort aimed at developing an understanding of how molecular bridge (B) fragments facilitate electron transfer between donors (D) and acceptors (A), especially over long distances. This project will show how the electron spin exchange coupling in semiquinone-nitronylnitroxide (SQ-B-NN) D-B-A biradical ligands can be used to reveal key structure-property relationships concerning the electronic coupling matrix element, H_DA. Elucidating these fundamental structure-property relationships can lead to significant advances in our understanding of electron transfer/transport in molecule-based devices as well as suggest novel molecular architectures for such devices.The proposed research aims to prepare and characterize molecules designed to clarify and to advance our understanding of how electrons are transferred from one part of a molecule to another. Electron transfer is ubiquitous in both nature (e.g., photosynthesis) and in the marketplace (electronic devices). The results will advance our understanding of intramolecular interactions that control electron transfer and may revolutionize the design of molecules for electronics. This research area provides excellent training for students in the areas of molecular design, synthesis, spectroscopy and theory. In addition, the PI will support students from a local HBCU for summer research.