Three new organic–inorganic compounds based on polyoxometalates, [(CuCltpy)2(Cu2Cl2(tpy)2)(α-SiW12O40)]·5H2O (1), [Cu4(tpy)4(H2O)4(α-P2W18O62)]·4H2O (2), and [Cu(tpy)(Mo3O10)]·H2O (3) (tpy = 4′-(pyrrol-3-yl)-2,2′:6′,2″-terpyridine), were facilely isolated by hydrothermal technique. X-ray diffraction analysis shows that compound 1 with three-dimensional (3D) supramolecular structure is featured by α-SiW12 clusters, {Cu2Cl2/tpy} dimers, and {CuCl/tpy} monomers. Compound 2 with zero-dimensional (0D) discrete structure is constructed from α-P2W18 clusters and four Cu/tpy units. The one-dimensional (1D) infinite chain of 3 is stemmed from [Mo3O10]2– units and Cu/tpy motifs. Furthermore, we explored the bifunctional electrocatalytic activities of these three compounds for reduction and oxidation. The results show that the [Mo3O10]2–-type hybrid displays better difunctional electrocatalytic activities than heteropolyacids toward both reduction and oxidation. Significantly, the molecular electrostatic potential and the frontier molecular orbital were achieved by density functional theory calculations to analyze the electronic structure of three compounds. The natural bond orbital analysis was also carried out to interpret electron charge distribution.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.