University of Illinois Urbana-Champaign

Carboxylate Stretching Modes Are Structural Probes For Ion-dependent Binding Properties In Alkali Earth Metal-edta Complexes

Foreman, Madison M.

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WG10_1.pdf
WG10_1.pptx
6082.pdf

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https://hdl.handle.net/2142/116581

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Title
Carboxylate Stretching Modes Are Structural Probes For Ion-dependent Binding Properties In Alkali Earth Metal-edta Complexes
Author(s)
Foreman, Madison M.
Contributor(s)
Weber, J. Mathias
Issue Date
2022-06-22
Keyword(s)
Ions
Abstract
Ethylenediaminetetraacetic acid (EDTA) can be used as a chelating agent for binding metal ions in solution. In addition, its binding pocket is a model for the interactions between carboxylate groups and the divalent ions they often bind in some biological systems.\footnote{S. Mitra, K. Werling, E. Berquist, D. S. Lambrecht, S. Garrett-Roe, J. Phys. Chem. A 125 (2021) 4867-4881}\footnote{S. C. Edington, C. R. Baiz, J. Phys. Chem. A 122 (2018) 6585-6592}\footnote{Q. Yuan, X. T. Kong, G. L. Hou, L. Jiang, X. B. Wang, Faraday Discuss. 217 (2019) 383} With its four carboxyl groups and two nitrogen atoms, EDTA can chelate nearly any metal cation to form water-soluble complexes, making it a robust model system for studying biologically relevant divalent ion-carboxylate interactions. Here, we present cryogenic gas-phase infrared spectra of a series of alkaline earth metal-EDTA complexes of the form [M(II)$\cdot$EDTA]$^{2-}$ and assign spectral features using density functional theory calculations. The vibrational spectra encode structural and electrostatic information, reflecting the geometry of each metal ion within the EDTA binding pocket and its relation to ionic radius.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/116581
DOI
https://doi.org/10.15278/isms.2022.WG10
Copyright and License Information
Copyright 2022 held by the authors

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Abstracts & Presentations - 2022 International Symposium on Molecular Spectroscopy PRIMARY