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Crystal structure and vibrational spectroscopy of the new acidic diphosphate (NH4)2Zn(H2P2O7)2 × 2H2O (Articolo in rivista)

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Crystal structure and vibrational spectroscopy of the new acidic diphosphate (NH4)2Zn(H2P2O7)2 × 2H2O (Articolo in rivista) (literal)

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Capitelli F. 1, Khaoulaf R. 2, Harcharras M. 2, Ennaciri A. 2, Habyby S. H. 2, Valentini V. 3, Mattei G. 3, Bertolasi V. 4 (2005)
Crystal structure and vibrational spectroscopy of the new acidic diphosphate (NH4)2Zn(H2P2O7)2 × 2H2O
in Zeitschrift für Kristallographie; Oldenbourg Verlag, Munich (Germania)
(literal)

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Capitelli F. 1, Khaoulaf R. 2, Harcharras M. 2, Ennaciri A. 2, Habyby S. H. 2, Valentini V. 3, Mattei G. 3, Bertolasi V. 4 (literal)

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1- CNR-IC, Sede di Bari 2- Dept. of Chemistry, Univ. Ibn Tofail, Kenitra, Marocco 3- CNR-ISC, Sez. di Montelibretti, Roma 4- Dip. di Chimica and Centro di Strutt. Diffrattomtrica, Univ. di Ferrara (literal)

Titolo

Crystal structure and vibrational spectroscopy of the new acidic diphosphate (NH4)2Zn(H2P2O7)2 × 2H2O (literal)

Abstract

The hydrated ammonium hemizinc dihydrogen diphosphate (NH4)(2)Zn(H2P2O7)(2) - 2 H2O was synthesized. It crystallizes in the triclinic system, space group P1, Z = 1, with the following unit-cell-parameters: a = 7.0026(2) angstrom, b 7.3297(2) angstrom, c = 7.7885(3) angstrom, a = 81.229(1)degrees, beta = 71.064(1)degrees, gamma = 88.172(1)degrees, V = 373.64(2) angstrom(3). The structure was obtained by single-crystal X-ray diffractometry, and a full-matrix least-squares refinement based on F-2 gave a final R-1 index of = 0.0447 (wR(2) = 0.1336), utilizing 2055 observed reflections with I > 2 sigma(I). The crystal packing consists in a three-dimensional network made by layers parallel to ab plane of ZnO6 octahedra sharing four vertices with H2P2O7 double tetrahedra: (NH4)(+) cations fill up the cavities between tetrahedra and octahedra; strong hydrogen bonds stabilize the framework. The dihydrogendiphosphate anion (H2P2O7)(2-) shows bent eclipsed conformation and the Zn2+ ion lies on inversion centre. Raman and infrared spectra of (NH4)(2)Zn(H2P2O7)(2) - 2 H2O have been collected and interpreted using factor group analysis. No coincidences observed between most of Raman and IR spectral bands confirmed the centrosymmetric structure of the title compound; the vibrational spectra point to a bent POP bridge angle. (literal)

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