Biradical-like Reactive Intermediates

通过这个续展奖项，有机和高分子化学项目支持科罗拉多大学博尔德分校化学系的Josef Michl博士的工作。这项研究的目的是在三个方面扩展以前的工作：1)三重态双自由基中的自旋-轨道耦合和零场分裂，2)含平行苯环的碳氢化合物的波长相关的光化学反应，涉及系间交叉，以及3)[1.1.1]螺母烷衍生物的合成。然而，大部分工作将致力于新的烷基化和氟烷基化碳硼烷阴离子和自由基的合成和性质。碳硼烷化合物将用于生成活性中间体，催化与Li+离子的反应，氧化非常弱的还原剂，制备金属的特殊氧化态，以及制备磁性和导电材料。它们可能在锂电池、燃料电池膜和催化烯烃聚合方面有应用。与PI合作的本科生、研究生和博士后将在有机和金属有机化学、光谱学、计算和材料科学方面获得宝贵的经验。

With this renewal award the Organic and Macromolecular Chemistry Program supports the work of Dr. Josef Michl in the Department of Chemistry at the University of Colorado in Boulder. The research aims to extend earlier work in three areas: 1) spin-orbit coupling and zero-field splitting in triplet biradicals, 2) wavelength dependent photochemical reactions of a hydrocarbon containing parallel benzene rings, and involving intersystem crossing, and 3) the synthesis of derivatives of [1.1.1]propellane. Most of the work however will be devoted to the synthesis and properties of new alkylated and fluoroalkylated carborane anions and radicals.The carborane compounds will be used to generate reactive intermediates, catalyze reactions with Li+ cation, oxidize very weak reducing agents, prepare unusual oxidation states of metals, and prepare magnetic and electrically conducting materials. These may have applications in lithium batteries, fuel cell membranes, and catalysis of olefin polymerization. Undergraduate, graduate, and postdoctoral students working with the PI will gain valuable experience in organic and metallo-organic chemistry, spectroscopy, computation, and materials science.