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The hydrogen bond system in natrochalcite-type compounds — an FTIR spectroscopic study of the H3O2 unit

Das Wasserstoffbrückensystem in Verbindungen des Natrochalcit-Typs - eine FTIR spektroskopische Untersuchung der H3O −2 Gruppe

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Summary

FTIR spectroscopy was used to study the vibrational behaviour of the hydrogen bond system of the H3O2 unit, present with widely varying O-H...O distances in natrochalcite-type compounds, MeCu2(H3O2)(ZO4)2 (Me = Na, K; Z=S, Se). Absorption bands of powder and polarized single-crystal spectra of non-deuterated and partially deuterated natrochalcite phases are assigned to stretching and bending modes of clearly divided OH− and H2O groups. These results are indicative for a not centro-symmetric configuration of the H3O2 unit and confirm the presence of a very strong hydrogen bond with a split hydrogen atom position.

Zusammenfassung

FTIR Spektroskopie wurde zur Untersuchung des Schwingungsverhaltens des Wasserstoff-Brückenbindungssystems der H302 Gruppe herangezogen, die mit stark variierenden O-H... 0 Abständen in Verbindungen des Natrochalcit-Typs, MeCu2(H3O2)(ZO4)2 (Me = Na, K; Z = S, Se) auftritt. Absorptionsbanden von Pulverund polarisierten Einkristallspektren nicht deuterierter und teilweise deuterierter Natrochalcit-Phasen, werden den Streck- und Knickschwingungen klar getrennter OH− und H2O Gruppen zugeordnet. Diese Ergebnisse weisen auf einen nichtzentrosymmetrischen Aufbau der H3O −2 -Gruppe hin und bestätigen das Auftreten einer sehr starken Wasserstoffbrücke mit einer aufgespaltenen Position des Wasserstoffatoms.

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Authors and Affiliations

  1. Institut für Mineralogie und Kristallographie, Universität Wien - Geozentrum, Althanstrasse 14, A-1090, Wien, Austria

    A. Beran, G. Giester & E. Libowitzky

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  1. A. Beran
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  2. G. Giester
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  3. E. Libowitzky
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Beran, A., Giester, G. & Libowitzky, E. The hydrogen bond system in natrochalcite-type compounds — an FTIR spectroscopic study of the H3O2 unit. Mineralogy and Petrology 61, 223–235 (1997). https://doi.org/10.1007/BF01172486

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