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: 2302628
• 负责人: Raul Hernandez Sanchez
• 金额: $ 68万
• 依托单位: William Marsh Rice University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-11-01 至 2026-12-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2302628&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.

匹兹堡大学的Raúl Hernández Sánchez博士得到了NSF化学部的大分子，超分子和纳米化学（MSN）计划的支持，以设计，合成和表征由圆柱形共轭有机分子组成的纳米材料。这些分子形成了直径约为1纳米的明确的线状纳米系统，比人类头发小10万倍。该项目的目标是获得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液体或气体分离的膜技术。从事该项目的学生将获得从大分子化学合成和产品表征到基本计算分析的许多学科的技术技能。 此外，教授埃尔南德斯桑切斯和他的学生积极参与，通过在科学和工程多样性联盟在匹兹堡在激励代表性不足的少数民族成员追求干事业，并在提高公众对科学的认识通过研讨会，当地博览会和公约。Hernández Sánchez教授还在尤里卡街公司担任教师，致力于指导来自代表性不足的少数民族的申请人，并在Clubes de Ciencia梅西科（墨西哥科学俱乐部）为来自梅西科奇瓦瓦州市的高中生和本科生举办STEM研讨会。在这个项目中，Hernández Sánchez教授和他的研究团队得到支持，开发合成方案，构建称为tubularenes的分子线状系统。该项目将遵循自下而上的模板辅助方法，使用选择的芳香族构建块和大环封端来构建共轭纳米管。所选择的模板将理想地保持前体芳族结构单元在空间上接近以限制它们的自由度并将它们定向在最佳地促进所需反应性的几何形状中。该项目的第一个目标是通过测试一系列芳香族结构单元和大环化合物来验证支架方法。 第二个目标将侧重于促进轴向接合。 将评估中间体和预期产物的应变能，以告知径向和轴向延伸的共轭表面的可行合成路线的设计。 第三个目标涉及将杂原子作为掺杂剂掺入芳族框架中以调节电子结构。 计算化学将被用于指导整个项目，并允许更好地知情的设计/修改/tuningdecisions.This奖项反映了NSF的法定使命，并已被认为是值得通过使用基金会的智力价值和更广泛的影响审查标准进行评估的支持。