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.