By means of comprehensive density functional theory computations, the FeRh dimer embedded in N-doped graphene was screened as a quite promising electrocatalyst with dual-atom centered sites for ammonia synthesis from N2 fixation.
A series of inorganic-organic complexes based on polymolybdate anions and copper-organic subunits,, have been synthesized under hydrothermal conditions and their crystal structures have been determined by single-crystal X-ray diffraction analysis. All of these compounds contain the [P 2 Mo 5 O 23 ] 6À polyoxoanions as building units. The structure determination shows that the polyoxoanion of compound 1 is mono-supported by one copper complex subunit. In compound 2, the [P 2 Mo 5 O 23 ] 6À cluster is supported by two distinct [Cu(bim)(H 2 O) 2 ] 2+ and [Cu(bim) 2 ] 2+ fragments. Compound 3 presents a tri-supported polyoxometalate cluster structure, where each [P 2 Mo 5 O 23 ] 6À anion is decorated by two [Cu(bim) 2 ] 2+ and one [Cu(phen)(H 2 O)] 2+ cations. In compound 4, the [P 2 Mo 5 O 23 ] 6À anion is supported by four symmetry [Cu(bim)(H 2 O)] 2+ units. The cyclic voltammetry results for 1-4 indicate the known fingerprint of the [P 2 Mo 5 O 23 ] 6À anion. Although compounds 1-4 contain similar polyoxometalate anions, the mean peak potentials are slightly different, due to their different chemical environments. The magnetic behaviours of 1-4 were also investigated, in the temperature range of 2-300 K.
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