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本概念之一，但与芳香性相关的物理性质仍存在争议。这些物理性质正在一系列的反芳族二价阳离子和二价阴离子，推理的能力，揭示反芳香性的一个物种与4 n π电子的性质将使我们能够评估它是否是特别有用的证明芳香性的一个物种与4 n + 2 π电子。还正在审查的是dications和dianions，形成一个芳香性/反芳香性连续，允许在相同的碳框架内的物理性质进行评估。实验工作的结果正在与也正在进行的理论计算的结果相关联。至于更广泛的影响，这项研究正在进行完全由本科生，与博士后研究助理的技术支持。由于PI专门针对一年级本科生参与该项目，研究经验对学生的发展产生了更大的影响，而不是从大四开始。 这些学生中的许多人将选择继续在化学科学研究生院作为这个研究项目的结果和PI提供的指导，这将对化学劳动力产生非常积极的影响。