RUI: The Role of Bond Localization in Antiaromaticity: Aromaticity/Antiaromaticity Continuum for Indenyl Systems

芳香性是有机化学的基本概念之一，但与芳香性相关的物理性质一直存在争议。这些物理性质正在一系列反芳香指示物和离子中进行检验，原因是一种性质揭示具有4 n - pi电子的物质的反芳香性的能力将使我们能够评估它是否特别有助于证明具有4 n + 2 - pi电子的物质的芳香性。还将研究形成芳香性/反芳香性连续体的指示物和离子，以便在同一碳框架内评估物理性质。实验工作的结果正与正在进行的理论计算的结果相联系。至于更广泛的影响，本研究仅由本科生进行，并由一名博士后研究员提供技术支持。由于PI专门针对一年级本科生参与该项目，研究经历对学生发展的影响要比他们从高年级开始的影响大得多。由于这个研究项目和PI提供的指导，这些学生中的许多人将选择继续攻读化学科学的研究生院，这将对化学劳动力产生非常积极的影响。

Aromaticity is one of the bedrock concepts of organic chemistry yet the physical properties associated with aromaticity are under dispute. Those physical properties are being examined in a series of antiaromatic dications and dianions, reasoning that the ability of a property to reveal the antiaromaticity of a species with 4 n pi-electrons will allow us to assess whether it is particularly useful in demonstrating the aromaticity of a species with 4 n + 2 pi-electrons. Also being examined are dications and dianions that form an aromaticity/antiaromaticity continuum that allows the physical properties to be evaluated within the same carbon framework. The results of the experimental work are being correlated with the results of theoretical calculations that are also being carried out. As for the Broader Impacts, this research is being carried on exclusively by undergraduate students, with the technical support of a post-doctoral research associate. Because the PI specifically targets first year undergraduate students for participation in the project, the research experience has a much greater impact in the development of the students than if they started as seniors. Many of these students will choose to go on to graduate school in the chemical sciences as a result of this research project and the mentoring provided by the PI and this will have a very positive impact on the chemical workforce.