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

RUI：键定位在反芳香性中的作用：茚基系统的芳香性/反芳香性连续体

• 批准号: 0553589
• 负责人: Nancy Mills
• 金额: --
• 依托单位: Trinity University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-05-01 至 2010-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0553589&HistoricalAwards=false
• 关键词: RUI; Role; Bond; Localization; Antiaromaticity

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.

芳香性是有机化学的基岩概念之一，但与芳香性相关的物理特性正在争议。这些物理特性正在一系列的抗神经抗性和牙齿中进行检查，认为特性揭示具有4个N pi-Electron的物种的抗环境的能力将使我们能够评估它在证明具有4 N + 2 Pi-Electron的物种的芳香性方面特别有用。还检查的是形成芳香性/抗虫性连续体的diCations和dianions，允许在同一碳框架内评估物理特性。实验工作的结果与也正在进行的理论计算结果相关。至于更广泛的影响，本科生仅在博士后研究助理的技术支持下进行这项研究。由于PI专门针对第一年的本科生参加该项目，因此研究经验对学生的发展产生了更大的影响。 由于该研究项目以及PI提供的指导，这些学生中的许多学生将选择继续在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。