Structure, optical and magnetic properties of a novel homometallic coordination polymers: Experimental and Computational studies

Single crystal of 1D homometallic coordination polymer involving cobalt metal ion and P(2)Mo(5) Strandberg type polyoxometallate cluster (C(6)H(10)N(2))(2)[Co(H(2)O)(4)P(2)Mo(5)O(23)].6H(2)O, is prepared in aqueous solution and characterized by X-ray diffraction (XRD), UV-vis diffuse reflectance, fluorescence and magnetism. Single crystal X-ray diffraction analysis reveals that this compound crystallizes in the triclinic system with space group P [Formula: see text] . The 3-(ammoniomethyl)pyridine C(6)H(8)N(2) organic fragment is used merely as stabilizer for the promotion of topological structure. DRS data indicate that the synthesized material can be identified as a ferromagnetic semiconductor with optical bands gaps energy of 1.81 and 2.74 eV, respectively. The large value of refractive index observed in the visible region make the simple a promising candidate for visible optical communication devices and fluorescent emisson result provides that the complex belongs to a blue luminescent compounds. Moreover, magnetic measurements and electronic structure calculations show that P(2)Mo(5) Strandberg polyoxoanion can be reported as a new class of ligand that is candidate to construct metal-inorganic framworks with long distance ferromagnetic superechange between Co(II) centers. The evidence from this study suggests that the syntesized polymer can become a great multifunctional material openning the door for the developpement of new coordination polymers based on Strandberg type polyxoxmetalate with potential applications.