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CAREER: Constructing Conjugated Heteroarene Architectures via Ring-Expansion Reactions with Anti-Aromatic Boroles

职业：通过反芳香硼杂环扩环反应构建共轭杂芳烃结构

基本信息

批准号：
1753025
负责人：
Caleb Martin
金额：
$ 65万
依托单位：
Baylor University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2018
资助国家：
美国
起止时间：
2018-06-01 至 2024-05-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1753025&HistoricalAwards=false
关键词：
CAREER Constructing Conjugated Heteroarene Architectures

项目摘要

Materials that emit light when electricity is passed through them have a myriad of applications including LED light bulbs, computer displays, and medical imaging devices. Conversely, materials that generate electricity when exposed to light are used in applications including solar energy conversion. While there are a number of materials that have these properties, there is a challenge in developing ones in which the light that is absorbed or emitted can be tuned to specific colors. Dr. Caleb Martin, Department of Chemistry and Biochemistry, Baylor University, is supported by the Chemical Synthesis Program of the Chemistsry Division, to prepare materials containing boron and phosphorus or sulfur that function as organic light emitting diodes (OLEDs) and organic photovoltaics (OPVs). By varying the amounts of these elements the color of light that is emitted or absorbed can be selectively changed. These light emitting/absorbing units are incorporated into polymers to form flexible OLEDs and OPVs that can be used in a variety of applications. This project also contains outreach efforts through partnerships with non-profit organizations in Waco that serve low income and homeless students. Interactive activities are related to the project with the ultimate goal to help increase the post-secondary enrollment of low income underrepresented minorities pursuing studies in the STEM fields. The project's goals are to synthesize boron containing analogues of benzene and other extended aromatic compounds that feature boron and a lone pair containing heteroatom as valence isoelectronic substitutes for a C=C unit in the ring. The synthetic route involves a ring expansion methodology that takes advantage of the lability of the endocyclic boron-carbon bond in anti-aromatic borole reagents. The electronic properties of the boron containing heteroarenes are investigated computationally and spectroscopically with a focus on fluorescence and band gaps for application in organic light emitting diodes (OLEDs) and organic photovoltaics (OPVs). Due to the accessibility of the borole reagents, the initial targets are monocyclic systems with per-aryl substitution. However, in order to decrease the HOMO-LUMO gap conjugation is being increased by forming polycyclic systems. Through partnerships with local non-profit organizations for low income and homeless students, interactive activities that are related to this project are being organized. The ultimate goal of this outreach is to help increase the post-secondary enrollment of low income underrepresented minorities pursuing studies in the STEM fields.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.

当电流通过它们时发光的材料有无数的应用，包括LED灯泡，计算机显示器和医学成像设备。相反，当暴露于光时产生电力的材料用于包括太阳能转换的应用中。虽然有许多材料具有这些特性，但在开发其中吸收或发射的光可以被调谐到特定颜色的材料方面存在挑战。贝勒大学化学与生物化学系的Caleb Martin博士得到化学部化学合成计划的支持，以制备含有硼和磷或硫的材料，这些材料可用作有机发光二极管（OLED）和有机光致发光器件（OPV）。通过改变这些元素的量，可以选择性地改变发射或吸收的光的颜色。这些光发射/吸收单元被结合到聚合物中以形成可用于各种应用的柔性OLED和OPV。该项目还包括通过与韦科为低收入和无家可归学生服务的非营利组织建立伙伴关系开展外联工作。互动活动与该项目相关，最终目标是帮助增加在STEM领域学习的低收入代表性不足的少数族裔的中学后入学率。该项目的目标是合成苯的含硼类似物和其他扩展的芳香族化合物，其特征在于硼和含有杂原子的孤对电子作为环中C=C单元的价等电子取代物。合成路线涉及一种扩环方法，该方法利用了反芳族硼试剂中内环硼-碳键的不稳定性。通过计算和光谱研究了含硼杂环化合物的电子性质，重点研究了它们在有机发光二极管（OLED）和有机光致发光器件（OPV）中的荧光和带隙。由于硼试剂的可及性，最初的目标是具有全芳基取代的单环系统。然而，为了减少HOMO-LUMO间隙共轭正在增加形成多环系统。通过与当地低收入和无家可归学生非营利组织的伙伴关系，正在组织与该项目有关的互动活动。该奖项反映了NSF的法定使命，并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，被认为值得支持。

项目成果

期刊论文数量（22）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Probing borafluorene B–C bond insertion with gold acetylide and azide

用乙炔金和叠氮化物探测硼芴 B−C 键插入

DOI：
10.1039/d2dt03672j
发表时间：
2023
期刊：
Dalton Transactions
影响因子：
4
作者：
Li, Yijie;Shen, Yu-Hsuan;Esper, Alec M.;Tidwell, John R.;Veige, Adam S.;Martin, Caleb D.
通讯作者：
Martin, Caleb D.

Investigating the reactivity of 9-phenyl-9-borafluorene with N H, O H, P H, and S H bonds