Covalent Fluoride, Oxofluoride and Nonmetal Main Group Chemistry at the Limits of Oxidation and Coordination

Karl O. Christe，南加州大学化学系，得到化学系无机、生物无机和有机化学项目的支持，研究具有高配位数和氧化数的共价氟化物、氟氧化物和非金属主族化合物。该项目的目标是制备新的均配多氮化合物，合成新的二硝酰胺，对包括氙-氧-氙桥连化合物、超价化合物在内的系统进行结构研究，以及理论和实验明显矛盾的例子。理论从头计算将沿着进行， 分析键合关系的实验工作。该项目将理论与极其困难的实验工作和物理表征结合起来，旨在从根本上理解 高能分子这对高能量密度推进和储能材料的生产和理解具有潜在的意义。

Dr. Karl O. Christe, Chemistry Department, University of Southern California, is supported by the Inorganic, Bioinorganic and Organometallic Chemistry Program of the Chemistry Division for studies of covalent fluoride, oxyfluoride, and non-metal main group compounds with high coordination and oxidation numbers. The project will target the preparation of new homoleptic polynitrogen compounds, the synthesis of novel dinitramides, structural studies on systems including xenon-oxygen-xenon bridged compounds, hypervalent compounds, and examples where theory and experiment are in apparent contradiction. Theoretical ab initio calculations will be done along with the experimental work to analyze bonding relationships. This project joins theory with exceedingly difficult experimental work and physical characterization and aims at a fundamental understanding of high-energy molecules. It has potential significance to the production and understanding of high energy density materials for propulsion and energy storage.