Excited and Ground State Hydrogen Migration

在这个项目中，由化学系的化学结构，动力学和机制B计划资助，并由Matthew Platz教授指导，NSF资金用于支持夏威夷大学希洛分校（UHH）的本科生研究。 该研究包括合成有机化学，光化学，反应混合物的化学分析和化学计算。本研究在描述一种新的光化学反应机理中检验了先进理论方法的预测。夏威夷希洛大学（UH Hilo）一直是全国最多样化的四年制校园之一。 该项目为来自历史上代表性不足的人口的经济困难的本科生提供了现代研究经验。 通过合作关系，UH希洛大学的本科生在俄亥俄州州立大学度过了夏季的几个月，在时间分辨飞秒测量领域的专家Christopher Hadad教授的指导下发展计算化学技能。在夏威夷的希洛，本科生合成了二氮杂环丙烷、重氮化合物和恶二唑啉，将这些化合物暴露于单色紫外-可见光辐射下生成卡宾中间体，并分析如此产生的烯烃产物的比率作为激发波长的函数。当激发光子达到某一临界能量后，烯烃的立体异构体比例发生剧烈变化时，理论预言得到了证实。通过合作关系，UH希洛大学的本科生在俄亥俄州州立大学度过了夏季的几个月，在该领域专家克里斯托弗·哈达德教授的指导下发展计算化学技能。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

In this project, funded by the Chemical Structure, Dynamic and Mechanism B Program of the Chemistry Division and directed by Professor Matthew Platz, NSF funds are used to support undergraduate research at the University of Hawaii-Hilo (UHH). The research incorporates synthetic organic chemistry, photochemistry, chemical analysis of reaction mixtures and chemical computations. This research tests the predictions of advanced theoretical methods in the description of a new photochemical reaction mechanism. The University of Hawaii Hilo (UH Hilo) consistently ranks among the most diverse four-year campuses in the nation. This project provides a modern research experience to economically-challenged undergraduate students from historically underrepresented populations. Through a collaborative relationship, UH Hilo undergraduates spend summer months at the Ohio State University developing skills in computational chemistry under the tutelage of Professor Christopher Hadad, an expert in the field of time-resolved, femtosecond measurements.In Hilo, Hawaii, undergraduate students synthesize diazirines, diazo compounds and oxadiazolines, expose these compounds to monochromatic ultraviolet-visible radiation to generate carbene intermediates, and analyze the ratio of alkene products so produced as a function of excitation wavelength. The predictions of theory are confirmed if the ratio of alkene stereoisomers changes dramatically after a critical energy of exciting photons is realized. Through a collaborative relationship, UH Hilo undergraduates spend summer months at the Ohio State University developing skills in computational chemistry under the tutelage of Professor Christopher Hadad, an expert in the field. The students also participate in femtosecond time-resolved infrared experiments which measure the lifetimes and reactivities of carbenes.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.