Covalent Fluoride and Oxofluoride Chemistry as a Tool for the Exploration of the Limits of Oxidation and Coordination and of Hypervalency

这个无机、生物无机和有机金属化学项目的奖项支持南加州大学化学系的Karl O. Christe教授合成以前未知的含氧和氟配体的高价、高配位数配合物的研究。这些化合物对于完善我们对高能氟化合物的理解至关重要。理论从头计算将与实验工作一起进行，以分析整个氟配合物家族的键关系。最后的目标是重新检查一个显然含有不寻常的Xe-B键的配合物。将理论与仔细的物理表征结合起来，特别是通过x射线晶体学，将导致对高能氟分子的更好的基本理解，这些分子处于配位和化学键形成的极限。

This award in the Inorganic, Bioinorganic and Organometallic Chemistry Program supports research by Professor Karl O. Christe of the Department of Chemistry of the University of Southern California to synthesize previously unknown high-valent, high coordination number complexes with oxygen and fluorine ligands. These compounds are of fundamental importance in rounding out our understanding of high-energy fluorine compounds. Theoretical ab initio calculations will done along with the experimental work to analyze bonding relationships throughout entire families of fluorine complexes. A final objective is to re-examine a complex apparently containing an unusual Xe-B bond. Joining theory with careful physical characterization, particularly by x-ray crystallography, will lead to a better fundamental understanding of high-energy fluorine molecules, which are at the very limits of coordination and chemical bond formation.