Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 13, Issue 24, Pages 5522-5529Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.2c01468
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Funding
- Italian Ministry of University and Research (MIUR) [2017KKP5ZR]
- University of Rome La Sapienza [RG11916B702B43B9]
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In this study, the dissipative translocation of the Zn2+ ion between two prototypical coordination complexes was investigated using X-ray absorption and H-1 NMR spectroscopy. By combining experimental and theoretical approaches, the solution structures of the key metal coordination complexes were accurately characterized.
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.
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