Funct. Mater. 2014; 21 (1): 80-85.

Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates

S.S.Smolyak, V.L.Karbivskyy, V.H.Kasiyanenko

G.V.Kurdumov Institute for Metal Physics, National Academy of Sciences of Ukraine, 36 Acad. Vernadsky Blvd., 03680 Kyiv-142, Ukraine


Effects of partial substitution of Zn by Mn on the electronic and atomic structure of diphosphates Zn2-xMnxP2O7⋅5H2O (x = 0.0, 0.7) have been studied out by X-ray photoelectron spectroscopy, IR spectroscopy, NMR and thermogravimetric analysis. Analysis of the infrared absorption spectra was carried out for functional groups of Zn2P2O7⋅5H2O and Zn1.3Mn0.7P2O7⋅5H2O compounds. Through correlation between the symmetric and asymmetric stretching vibrations of P-O-P bridge and P-O-P angle an increase of P-O-P bridge angle was established for Zn1.3Mn0.7P2O75H2O. Substitution of zinc by manganese has little impact on the overall balance of chemical bond in the compound, which is manifested in minor changes of the core electrons binding energies.


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