New Molecular Systems Based on Indenofluorenes and Expanded Quinoidal Analogues: Experimental, Theoretical, and Materials Studies

基于茚并芴和扩展醌型类似物的新分子系统：实验、理论和材料研究

• 批准号: 1565780
• 负责人: Michael Haley
• 金额: $ 60万
• 依托单位: University of Oregon Eugene
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-05-01 至 2021-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1565780&HistoricalAwards=false
• 关键词: New; Molecular; Systems; Based; Indenofluorenes

The Chemical Synthesis Program of the NSF Chemistry Division supports the research of Professor Michael Haley in the Department of Chemistry & Biochemistry at the University of Oregon. Prof. Haley and his students are preparing molecules based on or inspired by the indenofluorene skeleton to answer fundamental scientific questions as well as to explore their materials properties. A key goal is to develop simple synthetic methods for the assembly of these strongly electron-accepting molecules. Once in hand, the Haley group examines the optical and electronic properties of all new molecular scaffolds with an emphasis towards utilization of these materials in optoelectronic devices such as organic field effect transistors (OFETs) and organic photovoltaics (OPVs). The broader impacts of this program include industrial internships for graduate students at local and regional companies, the exchange of graduate students with those of foreign collaborators, the hosting of extended stays of visiting scientists including professors from primarily undergraduate institutions (PUIs), and continued substantial involvement of undergraduates in chemical research via programs which promote participation of underrepresented groups.Research on non-benzenoid molecules has experienced a renaissance over the last decade as chemists have recognized their potential as organic semiconductors characterized by low Highest Occupied Molecular Orbitals (HOMO) and Lowest Unoccupied Molecular Orbitals (LUMO) energy levels and small energy gaps. This projects sets out to: (1) explore the fundamental properties and reactivity of the fully conjugated indenofluorene (IF) core leading to asymmetrically derivatized structures, (2) prepare a library of derivatized IFs and IF-diones for detailed structure-properties relationship studies, (3) extend our synthetic routes for the preparation and study of unknown, fully conjugated topologies such as indeno[1,2-a]fluorenes and indacenodiacenes, and (4) prepare expanded quinoidal IF analogues based diindeno-fused acenes and explore their open shell/biradical character. The molecules developed in these studies present opportunities for practical applications, particularly in the area of nanotechnology and low-cost electronics. Moreover, this project serves as an excellent training ground for graduate and undergraduate researchers in fundamental and applied chemical synthesis. The studies provides the researchers with broad experience in organic synthesis, computational chemistry, x-ray crystallography, and the interplay between electronic structure and molecular architecture.

NSF化学部的化学合成计划支持俄勒冈大学化学与生物化学系迈克尔·海莉教授的研究。 Haley教授和他的学生正在基于或受到Indenofluorene骨骼的启发来准备分子，以回答基本的科学问题以及探索其材料特性。一个关键目标是开发简单的合成方法来组装这些强烈的电子感受的分子。一旦手头，海莉组研究了所有新分子支架的光学和电子特性，重点是在光电设备（例如有机场效应晶体管（OFET）（OFET）和有机光伏电动机（OPV））中使用这些材料。该计划的更广泛影响包括为地方和地区公司的研究生提供工业实习，与外国合作者的研究生交流，包括本科机构（PUIS）的教授的扩大访问者（PUIS）的教授的扩展，主要促进了不足的摩尔群体，这些计划促进了不足的研究，从而促进了不足的研究，从而促进了不足的研究。在过去的十年中，随着化学家意识到其潜力是有机半导体，其特征是最高占用的分子轨道（HOMO）和最低的无置分子轨道（LUMO）能量水平和较小的能隙。 该项目列出：（1）探索完全共轭的泛氟（IF）核心的基本属性和反应性，导致不对称的衍生结构，（2）准备衍生化的IF和if-Diones库，以进行详细的结构关系研究，（3）我们的综合途径，（3），（3）构成了综合途径，以进行整体的途径，以全面的构造，完全不知名，完全构造了综合的综合，并完全构造了综合的综合途径。 Indeno [1,2-A]氟烯和indaceNodiacienes，（4）如果基于类似物的Diindeno融合蛋白蛋白，则准备膨胀的奎诺类乙烯，并探索其开放式壳/Biradical特征。这些研究中开发的分子为实用应用提供了机会，尤其是在纳米技术和低成本电子学领域。 此外，该项目是基础化学和应用化学合成研究生和本科研究人员的绝佳培训场。这些研究为研究人员提供了有机合成，计算化学，X射线晶体学以及电子结构与分子结构之间的相互作用的广泛经验。