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

RUI-反芳香烃双阳离子和烃/杂环双阴离子：离域与反芳香性之间的关系

• 批准号: 0948445
• 负责人: Nancy Mills
• 金额: $ 24.98万
• 依托单位: Trinity University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-04-15 至 2013-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0948445&HistoricalAwards=false
• 关键词: RUI; Antiaromatic; Hydrocarbon; Dications; Heterocylic

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).

化学结构，动力学和机制计划支持三位一体大学的南希·米尔斯（Nancy S. Mills）教授，其建议通过改变取代基因的放置和环形系统的方式变化来描述苯岛分解的反环境的评估。甘烯基系统的扩展具有为抗剖面提供更广泛的抗树脂性的潜力，因为已证明甘苯基阳离子比氟苯基阳离子更为抗脉络膜。另外，可以通过1H NMR偏移探测5元环的局部反剖面，其固有的抗环境通过在5元环上的取代而变化。对于中央5元环的氟苯基系统，这两种方法既不被用作探针，也没有取代的可能性。检验取代基对甘油基系统中5和6元环的影响的机会，再加上增强甘苯基系统的抗芳族性的潜力，这使这是一个令人兴奋的检查系统。还提出了将抗氢化碳去卫生型和TribenzAnnzAns的研究扩展，并提出了对抗虫的杂环dianions的研究。在国家科学基金会的化学结构，动力学和机制方案的支持下，米尔斯研究基金会的化学结构，动力学和机制计划，将研究米尔斯研究，将研究Aromation Chemical contormity Chemption。这项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 University有一项积极的本科研究计划，该计划强调了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，并了解如何通过实验观察来验证这些概念。 此外，该研究将有助于支持以Dreyfus Scholar/Fellow计划的研究/教学后助理研究/教学的活动。由于三一大学拥有相对较大的研究 /教学后专家研究员（目前是化学方面的四个），因此该系能够实施一系列旨在为这一小组做准备的活动，以为主要是本科机构（PUI）的成功学术职业做好准备。