Contorted and Strained Molecular Nanographenes: Multi-Electron Storage and Reduction-Induced Transformations

扭曲和应变的分子纳米石墨烯：多电子存储和还原诱导的转变

• 批准号: 2404031
• 负责人: Marina Petrukhina
• 金额: $ 51.44万
• 依托单位: SUNY at Albany
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-09-01 至 2027-08-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2404031&HistoricalAwards=false
• 关键词: Contorted; Strained; Molecular; Nanographenes; Multi

With the support of the Macromolecular, Supramolecular and Nanochemistry (MSN) program in the Division of Chemistry, Professor Marina A. Petrukhina of the University at Albany is studying charge-transfer effects in the emerging classes of highly warped and twisted nanographene scaffolds to promote their use as critical components in energy storage, conducting and quantum computing devices. Through systematic studies, the project aims to provide insights into multi-electron storage abilities of topologically different nanocarbon hosts upon stepwise chemical reduction. If successful, the knowledge gained will provide guiding principles for the design of new molecular and supramolecular carbon materials and their respective electronic, magnetic, and intercalation properties for technologically important applications. This project will also provide educational and training opportunities for graduate and undergraduate students at the University at Albany. Students will be exposed to a broad range of science including organic and organometallic synthesis, supramolecular assembly, solution and solvent-free crystal growths, X-ray diffraction and spectroscopic characterization methods. Outreach and community engagement activities will build on the new Emerging Technology and Entrepreneurship Complex facility at the university and the summer research program “Playing with Carbon Balls, Bowls, Hoops and More” designed for undergraduate and high school students.In this project, a variety of structurally well-defined nanographenes with contorted and strained carbon frameworks will be selected for investigation of their multi-electron acquisition and storage abilities. Using controlled chemical reduction methods, the electronic and structural consequences of the stepwise injection of negative charge and spin into pi-conjugated nanographene systems will be systematically evaluated. More specifically, the effects of altering geometry, functionalization, and strain at the molecular level will be analyzed with an eye toward identifying systems with enhanced electron storage abilities. Additionally, structural transformations of nanographenes with embedded odd-membered rings upon multi-electron charging will be examined and the utility of creating localized spin-density and anti-aromatic spots for inducing site-specific reactivity will be tested. The project will also probe if the reduction-mediated annulation approach can be utilized for controlled build-up of pi-extended nanocarbon frameworks. This research seeks to address fundamental chemistry questions of relevance to charge transfer in graphitic materials that are important for the development of the next generation of optoelectronic and energy storage devices.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.

在化学系中的大分子，超分子和纳米化学（MSN）计划的支持下，奥尔巴尼大学的Marina A. Petrukhina教授正在研究高度扭曲和扭曲的纳米摄影型造影剂的新兴类别中的电荷转移效应，以促进其在能源储存中的关键组件，以促进其在能源储存中的关键组件，并在能源储存方面进行了计算和量子计算。通过系统的研究，该项目旨在在逐步化学降低后，洞悉拓扑不同纳米碳宿主的多电子存储能力。如果成功的话，获得的知识将为设计新分子和超分子碳材料的设计提供指导原则，以及它们各自的电子，磁性和互化特性，用于技术重要的应用。该项目还将为奥尔巴尼大学的研究生和本科生提供教育和培训机会。学生将接触到广泛的科学，包括有机和有机合成，超分子组装，溶液和无溶液晶体生长，X射线衍射和光谱表征方法。外展和社区参与活动将建立在大学的新新兴技术和企业家精神复杂的基础上，夏季研究计划“使用碳球，碗，篮球，更多”为本科和高中生设计。使用受控的化学还原方法，将系统地评估逐步注入负电荷并旋转到PI结合的纳米谱系系统中的电子和结构后果。更具体地说，在分子水平上改变几何形状，功能化和应变的影响将进行分析，以识别具有增强电子存储能力的系统。此外，将检查具有嵌入式奇异环的纳米仪在多电子充电时的结构转换，并将测试创建局部旋转密度和抗芳族斑点的实用性，以测试用于摄取位点特异性反应性的抗芳香族。如果可以利用还原介导的环境方法来控制PI延伸的纳米碳框架，则该项目还将探测。这项研究旨在解决基本的化学问题，以指控图形材料的转移对于开发下一代光电和储能设备很重要。该奖项反映了NSF的法定任务，并被认为是通过基金会的知识分子优点和更广泛的审查标准来通过评估来通过评估来支持的。