Electron Delocalization in Linear Heterotrimetallic Compounds

线性异三金属化合物中的电子离域

• 批准号: 2246913
• 负责人: John Berry
• 金额: $ 58.72万
• 依托单位: University of Wisconsin-Madison
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-06-01 至 2026-05-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2246913&HistoricalAwards=false
• 关键词: Electron; Delocalization; Linear; Heterotrimetallic; Compounds; Electron; Delocalization; Linear; Heterotrimetallic; Compounds

With the support of the Chemical Synthesis program in the Division of Chemistry, Professor John F. Berry of the University of Wisconsin – Madison will study how stringing three metal atoms together alters the electronic structures of these model molecular wires. The supported work includes synthesis of molecule-scale wire-like compounds that contain metal-metal bonds between similar or different metal atoms. Measurement of physical properties and computational analyses will allow for an assessment of the ability of these molecules to transport charge through these metal-metal bonds. These and related studies are important for advancing toward goals in the field of quantum computing, as they provide new opportunities for us to learn how to control spins and charge flow through synthetic molecule-scale devices. Collaborative projects with researchers in the US as well as in Italy will be pursued. The team will design and play leadership roles in science communication initiatives, presentations that highlight connections between arts and science, outreach efforts aimed at broadening participation in science by underrepresented groups, and other service- or education-related projects. The proposed work thus has the potential to broadly impact the discipline of inorganic chemistry and the field of chemistry as a whole, and has implications in areas of physics, electrical engineering, and computer science.The specific goals of this research project are to develop synthetic methods that allow for the fine control of the axial and equatorial ligands that support heterotrimetallic extended metal atom chains, as well as the metal atom identities and types of metal-metal interactions. Control over the axial linking groups will allow for these molecules to be effectively integrated into molecular circuitry so that charge transport measurements can be made. Expansion of the types of metal atoms included in these heterometallic molecules from first- and second-row transition elements (e.g., nickel and molybdenum) to lanthanide and main group elements is a major goal. Modification of the equatorial ligands as well as metal identities should allow for the filled orbital energy levels (the molecular analog of the “Fermi” level in metals) to be tuned. The Berry research team anticipates that it will be possible to access new molecules having carboxylate-derived axial ligands that will help us to test linking group effects in molecular conductivity measurements. Discovery of new types of metal-metal interactions has the potential to uncover molecular diode-like behavior, and multidimensional spectroscopy measurements are designed to provide insight into the coupling between low-energy metal-metal vibrations within the chain and electron transfer.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.

在化学合成计划中的支持下，威斯康星大学的约翰·贝里教授 - 麦迪逊将研究如何将三个金属原子串在一起改变这些模型分子电线的电子结构。支持的工作包括合成分子尺度的线状化合物，这些化合物在相似或不同的金属原子之间包含金属金属键。测量物理特性和计算分析，它们将允许评估这些分子通过这些金属金属键传输电荷的能力。这些和相关的研究对于朝着量子计算领域的目标促进目标非常重要，因为它们为我们提供了新的机会，可以学习如何通过合成分子尺度设备来控制旋转和充电流。将追求与美国以及意大利研究人员的合作项目。该团队将在科学传播计划中设计和扮演领导角色，强调艺术与科学之间的联系，旨在扩大代表性不足的群体对科学的参与以及其他与服务或教育相关的项目的宣传工作。因此，拟议的工作具有广泛影响无机化学和整个化学领域的纪律，并且对物理，电气工程和计算机科学领域具有影响。该研究项目的具体目标旨在开发合成方法，以允许对轴向和轴向良好的轴向构成的轴向良好的轴向相同，并及时构成金属质量良好的奇体，以及奇体的类型，以及奇体的类型，以及奇体的奇体，以及奇体的基准，以及奇体的构成，是奇体的构成，是奇体的构成，是奇体的构成型号，以及既定的，又是奇体的构成型号，并且是轴心的良好，并且是轴心的良好，以及奇体的构想，构成了奇异的基准构成的轴向良好的旋转型和相等的水平。互动。对轴向连接组的控制将使这些分子有效整合到分子电路中，以便可以进行电荷传输测量。这些异三基分子中包含的金属原子类型的膨胀，从一排和第二行的过渡元件（例如镍和钼）到灯笼和主要组元素是一个主要目标。对等效配体以及金属身份的修改应允许调节填充的轨道能级（金属中“费米”水平的分子类似物）。贝里研究小组预计，可以访问具有羧酸盐衍生轴向配体的新分子，这将有助于我们测试分子电导率测量中的组效应。新型金属 - 金属相互作用的发现可能有可能发现分子二极管样行为，并且设计了多维光谱测量值，旨在为链中低能金属金属振动之间的耦合提供深入了解，这反映了NSF的法定任务和审查的审查，这是通过评估良好的依据来评估的，这表明了这一奖项的依据是依据的依据。