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Structure and Properties of NaBH4·2H2O and NaBH4

  1. Yaroslav Filinchuk1,
  2. Hans Hagemann2

Article first published online: 19 MAR 2008

DOI: 10.1002/ejic.200800053

Issue

European Journal of Inorganic Chemistry

European Journal of Inorganic Chemistry

Volume 2008, Issue 20, pages 3127–3133, July 2008

Additional Information

How to Cite

Filinchuk, Y. and Hagemann, H. (2008), Structure and Properties of NaBH4·2H2O and NaBH4. Eur. J. Inorg. Chem., 2008: 3127–3133. doi: 10.1002/ejic.200800053

Author Information

  1. 1

    Swiss-Norwegian Beam Lines, European Synchrotron Radiation Facility, 6 rue Jules Horowitz, B. P. 220, 38043 Grenoble, France, Fax: +33-47-688-26-94

  2. 2

    Département de Chimie Physique, Université de Genève, 30 quai Ernest Ansermet, 1211 Geneva 4, Switzerland

Publication History

  1. Issue published online: 10 JUL 2008
  2. Article first published online: 19 MAR 2008
  3. Manuscript Received: 16 JAN 2008

Funded by

  • Swiss National Science Foundation

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Keywords:

  • X-ray diffraction;
  • Vibrational spectroscopy;
  • Hydrides;
  • Hydrates;
  • Hydrogen bonds

Abstract

NaBH4·2H2O and NaBH4 were studied by single-crystal X-ray diffraction and vibrational spectroscopy. In NaBH4·2H2O, the BH4– anion has a nearly ideal tetrahedral geometry and is bridged with two Na+ ions through the tetrahedral edges. The structure does not contain classical hydrogen bonds, but reveals strong dihydrogen bonds of 1.77–1.95 Å. Crystal structures and vibrational spectra of NaBr·2H2O and NaBH4·2H2O reveal many similarities. The unit cell volume of NaBH4·2H2O increases linearly with temperature between 200 and 313 K. At 313–315 K, the hydrate decomposes into NaBH4 and H2O, which react to release hydrogen.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

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