Multiple bonds at the experimental border:Spectroscopic characterization of high bond orders in molecular d- and f-element components

实验边界处的多重键：分子 d 和 f 元素成分中高键级的光谱表征

• 批准号: 461997427
• 负责人: Professor Dr. Jens-Uwe Grabow
• 金额: --
• 依托单位: Institut für Anorganische Chemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/461997427?language=en
• 关键词: Multiple; bonds; experimental; border; Spectroscopic

Chemical bonds are at the heart of chemistry. Nevertheless, the limits of experimental investigations are not nearly exhausted for representatives of the highest bond order, the sextuple bond. Consequently, the bonds between actinides have not been subject to almost any experimental characterization to date. This gap should be closed by measuring actinide molecules, that have only been investigated sparsely or even not at all, in an effort to significantly expand the limits of the experimental knowledge. This goal can be achieved by studying transition metal dimers in the gas phase, including uranium as a representative of the actinides. Its gas phase dimer in fact has never been subjected to a precise measurement. The method of choice for such precision measurements is high-resolution Fourier-transform microwave spectroscopy at adiabatically cooled molecular jets in combination with LASER vaporization technology. The highly sensitive measurement of different isotopologs with simultaneous decoding of spectral fine and hyperfine structure allows a highly precise elucidation beyond the Born-Oppenheimer approximation of the electronic ground state in view of its geometrical and electronic structure, which is predicted to be of unprecedented complexity. Furthermore, the application of the LASER vaporization technique to coordination compounds should make their structure - going this route for the first time - accessible in a new way.

化学键是化学的核心。然而，对于最高键阶（六键）的代表来说，实验研究的局限性还没有几乎耗尽。因此，到目前为止，锕系元素之间的键几乎没有经过任何实验表征。这一差距应该通过测量锕系元素分子来弥补，而锕系元素分子的研究很少甚至根本没有，以显着扩大实验知识的范围。这一目标可以通过研究气相中的过渡金属二聚体来实现，其中包括作为锕系元素代表的铀。事实上，其气相二聚体从未经过精确测量。这种精密测量的首选方法是绝热冷却分子射流的高分辨率傅里叶变换微波光谱与激光汽化技术相结合。不同同位素异构体的高灵敏度测量以及光谱精细和超精细结构的同步解码，可以对电子基态的玻恩-奥本海默近似进行高精度的解释，因为其几何和电子结构预计将具有前所未有的复杂性。此外，激光汽化技术在配位化合物中的应用应该使它们的结构——首次走这条路——以一种新的方式获得。