H.C. Brown Laboratory, Department of Chemistry, Purdue University, West Lafayette, Indiana, 47907, USA.
Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota, Minneapolis, Minnesota, 55455, USA.
Chemistry. 2020 Jul 22;26(41):8885-8888. doi: 10.1002/chem.202001904. Epub 2020 Jul 8.
Well-characterized complexes of transplutonium elements are scarce because of the experimental challenges of working with these elements and the rarity of the isotopes. This leads to a lack of structural and spectroscopic data needed to understand the nature of chemical bonds in these compounds. In this work, the synthesis of Cf(DOPO ) (NO )(py) (DOPO =2,4,6,8-tetra-tert-butyl-1-oxo-1H-phenoxazin-9-olate; py=pyridine) is reported, in which the nitrate anion is hypothesized to form through the α-radiolysis-induced reaction of pyridine and/or the ligand. Computational analysis of the electronic structure of the complex reveals that the Cf -ligand interactions are largely ionic.
由于实验上处理这些元素的挑战以及同位素的稀有性，乏人问津的镎后元素的特性明确的配合物十分稀缺。这导致了缺乏理解这些化合物中化学键本质所需的结构和光谱数据。在这项工作中，报道了 Cf(DOPO ) (NO )(py)（DOPO =2,4,6,8-四-叔丁基-1-氧代-1H-苯并恶嗪-9-醇；py=吡啶）的合成，其中假设硝酸根阴离子是通过吡啶和/或配体的α-辐射分解反应形成的。配合物电子结构的计算分析表明，Cf-配体相互作用主要是离子性的。
