Electron Delocalization in Linear Heterotrimetallic Compounds

美国国家科学基金会化学部的化学合成计划正在资助一个由威斯康星大学麦迪逊分校的John Berry教授监督的研究项目。该项目探索了电路和计算机中使用的电子产品的新方法。具体来说，该项目评估了包含金属原子链的分子的电导率。正在制备具有线性、线状结构的新的含金属化合物。这些分子导线只有一个金属原子厚，使它们成为可能的最薄电路连接。为了测试这些分子线，正在测试三个设计方面。一个目标是研究新的分子，将金属链连接到电极上。连接基团，一种化学焊料，必须牢固地附着在电线和电极上。第二个目标集中在修改围绕导线的化学护套，这会影响导线内电子的能量（电压）。第三个目标是探索构成金属丝本身的各种金属。感兴趣的是可能改变导线的导电性或电阻的特定金属的影响。这项研究为学生提供了实践经验。一些艺术和科学的推广工作正在进行中，以鼓励好奇心和公众对这一科学领域的认识。贝里教授帮助威斯康星州晶体生长的竞争，旨在招募年轻学生到干相关的活动计划。 同样，Berry教授和他的学生正在参加大学预科学习机会计划，该计划旨在使化学劳动力多样化。美国国家科学基金会化学部的化学合成计划在威斯康星大学麦迪逊分校的John Berry教授的监督下资助了该研究项目。 该项目涉及化学发现，但更广泛的科学影响超出了化学领域，包括物理学，电气工程，磁学和计算机科学。该项目研究含有一维金属原子链的化合物的电学性质。此类化合物的最通用的合成类别是扩展金属原子链（EMAC）和异金属扩展金属原子链（HEMAC），特别是由2，2-二吡啶基酰胺（dpa）和相关配体支撑的那些。 研究人员探测和调整电子离域。更广泛的目标是评估这些线状化合物作为分子电路中纳米级组件的实用性。该团队与物理化学小组合作，评估新HEMAC中的电子离域。一个主要的目标是评估的假设，通过HEMAC的电子传输门控的分子内，低能量的金属-金属拉伸振动。为了支持这些合作努力，设计了特定的合成实验来评估与单分子电导相关的基本性质：锚基效应，电子/空穴传输的前沿轨道能量的调制，该奖项反映了NSF的法定使命，并通过使用基金会的知识产权进行评估，被认为值得支持。优点和更广泛的影响审查标准。

The Chemical Synthesis Program within the Chemistry Division of the National Science Foundation is funding a research project under the supervision of Professor John Berry of the University of Wisconsin-Madison. The project explores new approaches to electronics used in electrical circuits and computers. Specifically, the project evaluates the electrical conductivity of molecules containing chains of metal atoms. New metal-containing compounds are being prepared that have a linear, wire-like structure. These molecular wires are only one metal atom thick, making them the thinnest circuit connection possible. In order to test these molecular wires, three design aspects are being tested. One aim is examining new molecules to attach the metal chains to electrodes. The linker group, a sort of a chemical solder, must attach strongly to both the wire and to the electrode. A second aim focuses on modifying the chemical sheathing that surrounds the wire, which affects the energies (voltage) of the electrons within the wire. The third aim is exploring diverse metals that comprise the wire itself. Of interest is the influence of particular metals that may change the conductivity or resistance of the wire. This research provides students with hands-on experience. A number of artistic and scientific outreach efforts are underway to encourage curiosity and public awareness of this area of science. Professor Berry helps with the Wisconsin Crystal Growing Competition, a program intended to recruit young students into STEM-related activities. Similarly, Professor Berry and his students are participating in the Pre-College Enrichment Opportunity Program for Learning Excellence, which aims to diversify the chemistry workforce. The Chemical Synthesis Program within the Chemistry Division of the National Science Foundation funds the research project under the supervision of Professor John Berry of the University of Wisconsin-Madison. This project involve chemical discoveries, but the broader scientific implications reach fields beyond chemistry, including physics, electrical engineering, magnetism, and computer science. The project examines the electrical properties of compounds containing one-dimensional metal atom chains. The most synthetically versatile class of such compounds are the extended metal atom chains (EMACs) and heterometallic extended metal atom chains (HEMACs), particularly those supported by 2,2ʹ-dipyridylamide (dpa) and related ligands. The researchers probe and tune electron delocalization. The broader goal is to assess the utility of these wire-like compounds as nanoscale components in molecular circuitry. The team collaborates with physical chemistry groups to assess electron delocalization in new HEMACs. A major goal is to assess the hypothesis that electron transport through HEMACs is gated by intramolecular, low-energy metal-metal stretching vibrations. To support these collaborative efforts, specific synthetic experiments are designed to assess fundamental properties related to single-molecule conductance: anchor group effects, modulation of frontier orbital energies for electron/hole transport, and systematic tuning of the metal atoms within the chains for molecular rectification.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.