Crystal structure, IR, Raman and UV-Vis studies of [Co(H2P2O7)2(H2O)2] [CH3)3C-NH3)]2•2H2O

[Co(H2P2O7)(2)(H2O)(2)] [CH3)(3)C-NH3)](2)center dot 2H(2)O, a new organically templated dihydrogen-pyrophosphate compound, was synthesized and characterized. The crystal structure was determined using single crystal X-ray diffraction data; [Co(H2P2O7)(2)(H2O)(2)] [CH3)(3)C-NH3)](2)center dot 2H(2)O crystallizes in orthorhombic space group Cmce (n 64), Z = 4, a = 11.9 642(10), b = 9.1565(8), c = 24.488(2), V = 2682.7(4) angstrom 3. Final agreement factors for the refined structure model are R/Rw (%) were 3.96/9.12. The open framework of [Co(H2P2O7)(2)(H2O)(2)] [CH3)(3)C-NH3)](2)center dot 2H(2)O might be described as phosphor-metallic slabs, made of isolated octahedrons [Co(H2P2O7)(2)(H2O)(2)], which interact through intra-slab H-bonds, while inter-slabs H-bonds ensure the interactions of neighbouring slabs. The inter-slabs host the counter ion [(CH3)(3)C-NH3)](+) ions and H2O molecules. Raman and FTIR spectra of the newly synthesized compound confirm the structural data obtained by X-Ray diffraction. The complementary information about vibrational modes prove the presence and the coordination of the phosphates as well as the organic moieties. UV-Vis spectrophotometry provide evidence of d-d transitions that are typically found in octahedral Co(II) compounds. In the visible region, the electronic spectrum is dominated by a well resolved strong band at 505 nm assigned to the spin allowed transition (4)T1g(F) -> T-4(1g)(P), and a shoulder at about 460 nm which is assigned to T-4(1g)(F) -> (4)A(2g)(F) transition that is manifold splitted due to multiplet coupling.

Automated summary

This study presents the synthesis and characterization of a new organically templated dihydrogen-pyrophosphate compound, including crystal structure determination, Raman and FTIR spectroscopy analysis, as well as UV-Vis spectrophotometry results.