论文标题
K 4 PU VI O 2（CO 3）3（CR）的合成，结构和电子特性：一种与环境相关的碳酸盐配合物
Synthesis, Structural, and Electronic Properties of K 4 Pu VI O 2(CO 3) 3(cr): An Environmentally Relevant Plutonium Carbonate Complex
论文作者
论文摘要
基于用于同源物种的数据，通常预定并描述了肌动剂材料的化学特性。碳酸钾（PUVI）碳酸钾，K4puvio2（CO3）3（CR）就是这种情况，这是一种与核技术和环境相关的复杂性，其晶体学和热力学特性仍然缺乏。我们在这里报告通过单晶X射线衍射分析和高能分辨率荧光检测的X射线吸收接近边缘结构与电子结构计算的PU M4边缘耦合。将PUVI的晶体学特性与同生铀（U）和Neptunium（NP）化合物进行了比较。阳式（ANVI）轴向键长[O-ANVI-O] 2+在固体，K4ANVIO2（CO3）3（CR）和水性之间相关，[ANVIO2（CO3）3] 4-（AQ）种类用于UVI-NPVI-PUFUFIFIS系列。将光谱数据与KPUVO2CO3（CR）和PUIVO2（CR）进行了比较，以解决PUVI电子结构涉及氧化状态变化和PUATOM周围局部结构修饰的趋势。
The chemical properties of actinide materials are often predefined and described based on the data available for isostructural species. This is the case for potassium plutonyl (PuVI) carbonate, K4PuVIO2(CO3)3(cr), a complex relevant for nuclear technology and the environment, of which the crystallographic and thermodynamic properties of which are still lacking. We report here the synthesis and characterization of PuVI achieved by single-crystal X-ray diffraction analysis and high-energy-resolution fluorescence-detected X-ray absorption near-edge structure at the Pu M4-edge coupled with electronic structure calculations. The crystallographic properties of PuVI are compared with isostructural uranium (U) and neptunium (Np) compounds. Actinyl (AnVI) axial bond lengths, [O-AnVI-O]2+, are correlated between solid, K4AnVIO2(CO3)3(cr), and aqueous, [AnVIO2(CO3)3]4-(aq) species for the UVI-NpVI-PuVI series. The spectroscopic data are compared to KPuVO2CO3(cr) and PuIVO2(cr) to tackle the trend in the electronic structure of PuVI regarding the oxidation state changes and local structural modifications around the Pu atom
