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RaúlHernándezSánchez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，合成和表征由均具有圆柱体的纳米材料，由均具有圆柱状的核糖核酸conjuguges conjugugated Organialsic Molecules。这些分子形成定义明确的线状纳米系统，直径约为一个纳米，该直径比人头发小约100,000倍。项目目标是获得对所涉及的化学反应的基本理解，并能够开发关键的纳米组件，并具有潜在的长期实用应用，例如在电子设备小型化和液体或气体分离的膜技术中。从事该项目的学生将获得许多学科的技术技能，从大分子化学合成和产品表征到基本计算分析。此外，HernándezSánchez教授及其学生通过匹兹堡的科学与工程多样性联盟积极参与，激发了代表性不足的少数群体的成员，以从事STEM职业，并通过通过Imposia，Locenthe Fairs和Confentions和会议来提高公众对科学的一般公众对科学的认识。 HernándezSánchez教授还活跃于尤里卡街公司（Eureka Street Corporation）的教职支持团队开发合成方案，以构建称为Tuberalenes的分子线样系统。该项目将遵循自下而上的模板辅助方法，以使用精选的芳香族构建块和大环端盖来构建共轭纳米管。选定的模板理想情况下将使前体芳香构件在太空中靠近，以限制其自由度，并以几何形状定向它们，从而最能促进所需的反应性。该项目的第一个目标旨在通过测试一系列芳香的构建块和大环，以验证脚手架方法。第二个目标将集中于轴向共轭的促进。将评估中间体和预期产物的应变能，以告知从根本和轴向扩展的连接表面的可行合成途径的设计。第三个目的涉及将杂原子的基础设施作为调节电子结构的掺杂剂进入芳香族框架。计算化学将在整个项目中使用，并允许更好地明智的设计/修改/调整决策。该奖项反映了NSF的法定任务，并认为使用基金会的知识分子优点和更广泛的影响审查标准，被认为值得通过评估。