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

本研究课题主要研究以卡宾和氮烯为中心的各种新型有机反应中间体的生成和研究。 例如，描述了杂芳基取代的卡宾，其承诺非常规的电子性质。 它们还提供了不寻常的重排的可能性，以其他以前未知的反应中间体。 拟议的系统将主要通过低温基质隔离方法，探测红外和紫外/维斯光谱。 表征将通过DFT和从头计算电子结构建模来辅助。有了这个奖项，有机和大分子化学计划（有机动力学）支持罗伯特·S·里诺内华达州大学的谢里丹说。 谢里丹教授研究的是一种叫做卡宾和氮烯的活性分子，它们的化学键数比通常的要少，电子结构也不寻常。 例如，卡宾已经涉及到星际化学，燃烧，烟灰形成和富勒烯生产等各种环境。 卡宾和氮烯的高反应性已被证明在生物分子的光亲和标记中具有价值，并且它们有趣的电子性质在寻求有机磁性材料中具有重要意义。

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.