ArticleInorganic chemistry2026
A Combined Spectroscopic and Multivariate Analysis Approach for the Structural Characterization of Metal-Based Deep Eutectic Solvents: Choline Chloride and Cobalt Chloride Hexahydrate in Water Mixtures.
Article in Inorganic chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Ultraviolet-visible (UV-vis) spectroscopy, Co K-edge X-ray absorption spectroscopy (XAS), and multivariate curve resolution (MCR) were combined to investigate cobalt speciation in the choline chloride/CoCl2·6H2O (1:2) metal-based deep eutectic solvent and its aqueous mixtures (1:2:W, W = 0-50). UV-vis spectroscopy provided information on coordination geometry, while XAS yielded quantitative structural information on the short-range environment of the metal center. MCR analysis of the XAS data set resolved overlapping spectral contributions and enabled identification of distinct cobalt species. Three complexes were identified: tetrahedral [CoCl4]2- (Co-Cl = 2.30(1) Å), mixed-ligand octahedral [CoCl(H2O)5]+ (Co-Cl = 2.34(1) Å; Co-O = 2.09(1) Å), and fully hydrated [Co(H2O)6]2+ (Co-O = 2.09(1) Å). Chloride-rich species dominate at low hydration, whereas increasing water content shifts the equilibrium toward hydrated octahedral complexes through progressive ligand substitution. These results provide a quantitative description of hydration-driven changes in cobalt coordination and demonstrate that the combined XAS-MCR approach is effective for resolving metal speciation in complex eutectic and multicomponent liquid systems.
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