Influence of Transition Metal Electron Configuration on the Structure of Metal–EDTA Complexes

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...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2023-03, Vol.127 (10), p.2258-2264
Main Authors: Foreman, Madison M., Alessio, Maristella, Krylov, Anna I., Weber, J. Mathias
Format: Article
Language:English
Subjects:
A: Structure, Spectroscopy, and Reactivity of Molecules and Clusters
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Summary: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.
ISSN:1089-5639
1520-5215
DOI:10.1021/acs.jpca.2c07996