The dissipative translocation of the Zn2+ ion between two prototypical coordination complexes has been investigated by combining X-ray absorption and H-1 NMR spectroscopy. An integrated experimental and theoretical approach, based on state-of-the-art Multivariate Curve Resolution and DFT based theoretical analyses, is presented as a means to understand the concentration time evolution of all relevant Zn and organic species in the investigated processes, and accurately characterize the solution structures of the key metal coordination complexes. Specifically, we investigate the dissipative translocation of the Zn2+ cation from hexaaza-18-crown-6 to two terpyridine moieties and back again to hexaaza-18-crown-6 using 2-cyano-2-phenylpropanoic acid and its para-chloro derivative as fuels. Our interdisciplinary approach has been proven to be a valuable tool to shed light on reactive systems containing metal ions that are silent to other spectroscopic methods. These combined experimental approaches will enable future applications to chemical and biological systems in a predictive manner.

Following a Silent Metal Ion: A Combined X-ray Absorption and Nuclear Magnetic Resonance Spectroscopic Study of the Zn2+ Cation Dissipative Translocation between Two Different Ligands / Frateloreto, Federico; Tavani, Francesco; Di Berto Mancini, Marika; Del Giudice, Daniele; Capocasa, Giorgio; Kieffer, Isabelle; Lanzalunga, Osvaldo; DI STEFANO, Stefano; D'Angelo, Paola. - In: THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS. - ISSN 1948-7185. - 13:24(2022), pp. 5522-5529. [10.1021/acs.jpclett.2c01468]

Following a Silent Metal Ion: A Combined X-ray Absorption and Nuclear Magnetic Resonance Spectroscopic Study of the Zn2+ Cation Dissipative Translocation between Two Different Ligands

Frateloreto, Federico;Tavani, Francesco;Di Berto Mancini, Marika;Del Giudice, Daniele;Capocasa, Giorgio;Lanzalunga, Osvaldo
;
DiStefano, Stefano
;
D'Angelo, Paola
2022

Abstract

The dissipative translocation of the Zn2+ ion between two prototypical coordination complexes has been investigated by combining X-ray absorption and H-1 NMR spectroscopy. An integrated experimental and theoretical approach, based on state-of-the-art Multivariate Curve Resolution and DFT based theoretical analyses, is presented as a means to understand the concentration time evolution of all relevant Zn and organic species in the investigated processes, and accurately characterize the solution structures of the key metal coordination complexes. Specifically, we investigate the dissipative translocation of the Zn2+ cation from hexaaza-18-crown-6 to two terpyridine moieties and back again to hexaaza-18-crown-6 using 2-cyano-2-phenylpropanoic acid and its para-chloro derivative as fuels. Our interdisciplinary approach has been proven to be a valuable tool to shed light on reactive systems containing metal ions that are silent to other spectroscopic methods. These combined experimental approaches will enable future applications to chemical and biological systems in a predictive manner.
2022
XAS, analisi multivariata
01 Pubblicazione su rivista::01a Articolo in rivista
Following a Silent Metal Ion: A Combined X-ray Absorption and Nuclear Magnetic Resonance Spectroscopic Study of the Zn2+ Cation Dissipative Translocation between Two Different Ligands / Frateloreto, Federico; Tavani, Francesco; Di Berto Mancini, Marika; Del Giudice, Daniele; Capocasa, Giorgio; Kieffer, Isabelle; Lanzalunga, Osvaldo; DI STEFANO, Stefano; D'Angelo, Paola. - In: THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS. - ISSN 1948-7185. - 13:24(2022), pp. 5522-5529. [10.1021/acs.jpclett.2c01468]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1670870
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