Influence of Transition Metal Electron Configuration on the Structure of Metal–EDTA Complexes
Influence of Transition Metal Electron Configuration on the Structure of Metal–EDTA Complexes
复制标题
过渡金属电子构型对金属-EDTA配合物结构的影响
DOI：
10.1021/acs.jpca.2c07996
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发表时间：
2023
期刊：
影响因子：
--
通讯作者：
Weber, J. Mathias
中科院分区：
文献类型：
--
作者：
Foreman, Madison M.;Alessio, Maristella;Krylov, Anna I.;Weber, J. Mathias
乙二胺四乙酸（EDTA）与过渡金属dications在真空中的冷配合物的振动光谱显示了金属的电子结构如何提供了一个几何模板的结合口袋的官能团的相互作用。EDTA的羧酸根的OCO伸缩模式作为结构探针，告知离子的自旋状态以及络合物中的配位数。结果突出了EDTA在其结合位点接受大范围金属阳离子的灵活性。
The vibrational spectra of cold complexes of ethylenediaminetetraacetic acid (EDTA) with transition metal dications in vacuo show how the electronic structure of the metal provides a geometric template for interaction with the functional groups of the binding pocket. The OCO stretching modes of the carboxylate groups of EDTA serve as structural probes, informing on the spin state of the ion as well as the coordination number in the complex. The results highlight the flexibility of EDTA in accepting a large range of metal cations in its binding site.