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

Foreman, Madison M.

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

Description

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

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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