RUI-Antiaromatic Hydrocarbon Dications and Hydrocarbon/Heterocylic Dianions: The Relationship between Delocalization and Antiaromaticity

化学结构，动力学和机制计划支持教授南希S。Trinity大学的米尔斯提出的建议描述了通过改变取代基的位置和改变环系统连接在一起的方式来评估亚茚基二价阳离子的反芳香性。茚基系统的扩展具有提供具有更宽范围的反芳香性的反芳香物质的潜力，因为茚基阳离子已被证明比芴基阳离子更具反芳香性。此外，5元环的局部反芳香性可以通过1H NMR位移来探测，并且其固有的反芳香性通过5元环上的取代而变化。这两种方法是不可能的芴系统，其中心5元环既没有质子被用作探针，也没有取代的可能性。有机会研究取代基对茚基系统中的5-和6-元环的影响，再加上茚基系统的抗芳香性增强的潜力，使这成为一个令人兴奋的系统检查。反芳烃二价阴离子的研究扩展到二和三苯并环化七富瓦烯的二价阴离子和反芳杂环二价阴离子也proposed.With支持的化学结构，动力学，和机制计划在化学部在美国国家科学基金会，米尔斯博士的研究将研究芳香性，在有机化学中的一个关键概念。该研究将有助于解释化合物的稳定性，并指导新分子的设计。Trinity大学有一个活跃的本科生研究计划，强调本科生早期接触研究。学生将接触到解释芳香性关键概念的理论，并了解这些概念如何通过实验观察得到验证。 此外，该研究将有助于支持研究/教学博士后助理的活动，在德雷福斯学者/研究员计划之后。由于Trinity University拥有相对较大的研究/教学博士后研究员队伍，目前有四名化学研究员，该部门能够实施一系列旨在为主要本科院校（PUI）的成功学术生涯做好准备的活动。

The Chemical Structure, Dynamics, and Mechanisms Program supports Professor Nancy S. Mills at Trinity University whose proposal describes the evaluation of the antiaromaticity of indenylidene dications through changes in the placement of substituents and changes in the manner in which the ring systems are linked together. The extension to indenyl systems has the potential to provide antiaromatic species with a broader range of antiaromaticity because the indenyl cation has been shown to be more antiaromatic than the fluorenyl cation. In addition, the local antiaromaticity of the 5-membered ring can be probed through 1H NMR shifts, and its inherent antiaromaticity varied through substitution on the 5-membered ring. These two approaches are not possible for the fluorenyl system whose central 5-membered ring possessed neither protons to be used as a probe nor the possibility of substitution. The opportunity to examine the effect of substituents on both 5-and 6-membered rings in the indenyl system, coupled with the potential for enhanced antiaromaticity of an indenyl system makes this an exciting system for examination. Extension of the investigations of antiaromatic hydrocarbon dianions to the dianion of di-and tribenzannulated heptafulvalene and to antiaromatic heterocyclic dianions is also proposed.With the support of the Chemical Structure, Dynamics, and Mechanisms Program in the Chemistry Division at the National Science Foundation, Dr. Mills' research will study aromaticity, a key concept in organic chemistry. This study will help to explain the stability of chemical compounds and guide the design of new molecules. Trinity University has an active undergraduate research program that emphasizes the early exposure of undergraduates to research. Students will be exposed to the theory that explains the key concepts of aromaticity and see how these are validated by experimental observations. In addition, the research will help support the activities of a research/teaching post-doctoral associate, patterned after the Dreyfus Scholar/Fellow program. Because Trinity University has a relatively large cohort of research /teaching post-doctoral fellows, currently four in chemistry, the department is able to implement a series of activities designed to prepare this group for successful academic careers at principally undergraduate institutions (PUIs).