Electronics and Reactivity in Carbenes, Bis-Carbenes, and Related Reactive Intermediates

本研究项目研究以卡宾和硝烯为中心的各种新的有机活性中间体的生成和研究。例如，描述了具有非传统电子性质的杂芳基取代卡宾。它们还提供了对其他以前未描述的活性中间体进行不寻常重排的可能性。提出的体系将主要通过低温基质分离方法进行研究，并通过IR和UV/Vis光谱进行探索。DFT和从头算电子结构模型将帮助表征。有了这个奖，有机和高分子化学计划(有机动力学)支持内华达大学罗伯特·S·谢里丹教授的研究。谢里登教授研究被称为卡宾和硝烯的活性分子，它们的化学键数量比通常少，电子结构也不寻常。例如，卡宾与星际化学、燃烧、煤烟形成和富勒烯生产等多种环境有关。卡宾和硝烯的高活性已被证明在生物分子的光亲和标记中具有价值，它们有趣的电子性质在寻找有机磁性材料方面也是有兴趣的。

This research project studies the generation and investigation of a variety of new organic reactive intermediates centered around carbenes and nitrenes. For instance, heteroaryl substituted carbenes are described that promise unconventional electronic properties. They also offer the possibility for unusual rearrangements to other previously uncharacterized reactive intermediates. The proposed systems will be investigated primarily by low-temperature matrix isolation methods, probed by IR and UV/vis spectroscopy. Characterization will be aided by DFT and ab initio electronic structure modeling.With this Award, the Organic and Macromolecular Chemistry Program (Organic Dynamics) supports the research of Professor Robert S. Sheridan of the University of Nevada Reno. Professor Sheridan studies reactive molecules called carbenes and nitrenes, which have fewer than the usual number of chemical bonds and unusual electronic structures. Carbenes, for example, have been implicated in such diverse settings as interstellar chemistry, combustion, soot formation, and fullerene production. The high reactivity of carbenes and nitrenes have proven of value in photoaffinity labelling of biological molecules, and their interesting electronic properties are of interest in the quest for organic magnetic materials.