Metal Complexes of Donor-Bridge Acceptor Biradical Ligands: Testing Models for Electron Transport

供体桥受体双自由基配体的金属配合物：电子传输测试模型

• 批准号: 1764181
• 负责人: David Shultz
• 金额: $ 44万
• 依托单位: North Carolina State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-08-01 至 2023-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1764181&HistoricalAwards=false
• 关键词: Metal; Complexes; Donor; Bridge; Acceptor

In this project funded by the Chemical Structure, Dynamic & Mechanism B Program of the Chemistry Division, Professor David A. Shultz of the Department of Chemistry at North Carolina State University is studying detailed relationships between a molecule's structure and its capacity to transport electrons in molecule-based electronic devices. The goal of this research is to develop lucid connections between a molecule's shape/structure and its ability to transport electrons in an electrical circuit. The results could have application in the next generation of molecular electronics and "spintronics" (electron spin-based electronics). The project requires detailed studies of molecular synthesis, structure determination, spectroscopy, theory, and is well-suited to the education of scientists. The Shultz group has extensive experience in training scientists (including undergraduates and those from underrepresented groups) who go on to careers in academia, government laboratories, industry, and entrepreneurship. Outreach activities include hosting and training undergraduate summer researchers from Shaw University, a local Historically Black University. Electron donor-acceptor interactions control electron transfer and transport at the molecular level. They are crucial, foundational elements in biological and artificial electron transfer and photosynthesis, solar energy conversion and molecular electronics/spintronics (electron spin-based electronics). The research continues the efforts toward an elucidation of electronic coupling in Donor-Bridge-Acceptor systems in which the donor fragment is a metal-semiquinone and the acceptor is a nitronylnitroxide radical, and the magnetic electron spin-spin exchange coupling between the two is directly proportional to the square of the Donor-Acceptor electronic coupling. The focus is on elucidating factors affecting molecular current rectification, and molecular design elements that might serve as tunnel junctions in molecular current rectifiers (e.g., cross-conjugation and non-alternate hydrocarbons).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.

北卡罗莱纳州立大学化学系的David a . Shultz教授正在研究分子结构与其在分子电子器件中传输电子的能力之间的详细关系，该项目由化学系化学结构、动态和机制B项目资助。这项研究的目标是在分子的形状/结构与其在电路中传输电子的能力之间建立清晰的联系。研究结果可能应用于下一代分子电子学和“自旋电子学”（电子自旋电子学）。该项目需要对分子合成、结构测定、光谱学、理论进行详细的研究，非常适合科学家的教育。舒尔茨团队在培养科学家（包括本科生和来自代表性不足群体的科学家）方面拥有丰富的经验，这些科学家将在学术界、政府实验室、工业和创业领域从事职业。拓展活动包括接待和培训来自当地历史悠久的黑人大学Shaw University的本科生暑期研究人员。电子供体-受体相互作用在分子水平上控制电子转移和传递。它们是生物和人工电子转移和光合作用、太阳能转换和分子电子学/自旋电子学（电子自旋电子学）中至关重要的基础元素。本研究继续致力于阐明供体-桥体-受体系统中的电子耦合，其中供体片段是金属-半醌，受体是硝基氮氧化物自由基，两者之间的磁性电子自旋-自旋交换耦合与供体-受体电子耦合的平方成正比。重点是阐明影响分子电流整流的因素，以及可能作为分子电流整流器隧道结的分子设计元素（例如，交叉共轭和非替代碳氢化合物）。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。

项目成果

In Search of Stable, High-Spin Polymers

• DOI: 10.1007/s00723-020-01293-z
• 发表时间: 2020-10
• 期刊: Applied Magnetic Resonance
• 影响因子: 1
• 作者: P. Hewitt;D. Shultz

Magnetic Exchange Coupling through the Nonalternant Cyclopentadienyl π-System of Ferrocene

通过非交替环戊二烯基α-二茂铁体系的磁交换耦合

• DOI: 10.1021/acs.orglett.1c02982
• 发表时间: 2021
• 期刊: Organic Letters
• 影响因子: 5.2
• 作者: Hewitt, Patrick;Shultz, David A.;Kirk, Martin L.
• 通讯作者: Kirk, Martin L.