CAREER: Tubularenes: A Novel Class of Conjugated Molecular Nanotubes

职业：管芳烯：一类新型共轭分子纳米管

• 批准号: 2042423
• 负责人: Raul Hernandez Sanchez
• 金额: $ 68万
• 依托单位: University of Pittsburgh
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-09-01 至 2022-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2042423&HistoricalAwards=false
• 关键词: CAREER; Tubularenes; Novel; Class; Conjugated

Dr. Raúl Hernández Sánchez of the University of Pittsburgh is supported by the Macromolecular, Supramolecular, and Nanochemistry (MSN) Program of the Division of Chemistry at the NSF to design, synthesize, and characterize nanomaterials composed of cylindrical conjugated organic molecules. These molecules form well-defined wire-like nanosystems with diameters around one nanometer, which is about 100,000 times smaller than a human hair. The project goals are to gain fundamental understanding of the chemistry involved and to enable the development of critical nanocomponents, with potential long term practical applications, for example, in electronic device miniaturization and membrane technology for liquid or gas separations. Students working on the project will gain technical skills across many disciplines from macromolecular chemical synthesis and product characterization to basic computational analysis. In addition, Prof. Hernández Sánchez and his students are actively involved through the Alliance for Diversity in Science and Engineering at Pittsburgh in inspiring members of underrepresented minorities to pursue STEM careers and in increasing general public awareness of science through symposia, local fairs and conventions. Prof. Hernández Sánchez is also active as faculty in Eureka Street Corporation dedicated to mentor applicants from underrepresented minorities and in Clubes de Ciencia México (Science Clubs Mexico) to conduct STEM Workshops for high school and undergraduate students from Chihuahua City, México.In this project, Professor Hernández Sánchez and his research team are supported to develop synthetic protocols to construct molecular wire-like systems termed tubularenes. The project will follow bottom-up template-assisted approaches to build conjugated nanotubes using select aromatic building blocks and macrocycles end-caps. The selected templates would ideally hold the precursor aromatic building blocks close in space to limit their degrees of freedom and orient them in a geometry that best promotes the desired reactivity. The first aim of the project seeks to validate the scaffolding approach by testing a range of aromatic building blocks and macrocycles. The second aim will focus on the promotion of axial conjugation. Strain energies of intermediates and expected products will be assessed to inform the design of viable synthetic routes for radially and axially extended conjugated surfaces. The third aim involves the incorporation of heteroatoms into the aromatic framework as dopants to tune electronic structure. Computational chemistry will be used throughout to guide the project and allow for better informed design/modification/tuning decisions.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.

匹兹堡大学Raúl Hernández Sánchez博士在美国国家科学基金会化学部的大分子、超分子和纳米化学（MSN）项目的支持下，设计、合成和表征由圆柱形共轭有机分子组成的纳米材料。这些分子形成明确的线状纳米系统，直径约为1纳米，比人类头发小10万倍。该项目的目标是获得对所涉及的化学的基本理解，并使关键纳米组件的开发具有潜在的长期实际应用，例如，在电子设备小型化和用于液体或气体分离的膜技术方面。参与该项目的学生将获得从大分子化学合成、产品表征到基本计算分析等多个学科的技术技能。此外，Hernández Sánchez教授和他的学生通过匹兹堡科学与工程多样性联盟积极参与，鼓励未被充分代表的少数民族成员追求STEM职业，并通过专题讨论会、当地博览会和会议提高公众对科学的认识。Hernández Sánchez教授还活跃于尤里卡街公司，致力于指导来自代表性不足的少数民族的申请人，并在墨西哥科学俱乐部（墨西哥科学俱乐部）为来自墨西哥奇瓦瓦市的高中生和本科生举办STEM研讨会。在这个项目中，Hernández Sánchez教授和他的研究小组被支持开发合成方案，以构建称为管烯的分子线状系统。该项目将采用自下而上的模板辅助方法，使用选定的芳香构建块和大环端帽构建共轭纳米管。理想情况下，所选择的模板将使前体芳香构建块在空间上保持紧密，以限制它们的自由度，并使它们以最能促进所需反应性的几何形状定向。该项目的第一个目标是通过测试一系列芳香族构建块和大环来验证脚手架方法。第二个目标将集中在轴共轭的促进。中间产物和预期产物的应变能将被评估，以告知径向和轴向扩展共轭曲面可行的合成路线的设计。第三个目标涉及将杂原子作为掺杂剂掺入芳香骨架中以调整电子结构。计算化学将贯穿整个项目，并允许更好的设计/修改/调优决策。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。