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

无机化学、生物无机化学和金属有机化学项目的这一奖项支持南加州大学化学系的卡尔·O·克里斯蒂教授的研究，目的是合成以前未知的高价、高配位数的氧和氟配体络合物。这些化合物对于完善我们对高能氟化合物的理解是至关重要的。理论从头计算将与实验工作一起完成，以分析整个氟化合物家族的成键关系。最后一个目标是重新检查一个显然包含一个不寻常的Xe-B键的络合物。将理论与仔细的物理表征相结合，特别是通过X射线结晶学，将有助于更好地从根本上理解高能氟分子，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.