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Static compression of tetramethylammonium borohydride.

Douglas Allen Dalton1, M Somayazulu, Alexander F Goncharov

  • 1Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road NW, Washington, D.C. 20015, USA.

The Journal of Physical Chemistry. A
|September 22, 2011
PubMed
Summary

High pressure studies on tetramethylammonium borohydride (TMAB) reveal structural transitions driven by molecular ordering, not chemical bonding changes. These reversible transitions occur around 5 and 20 GPa, with a bulk modulus of 5.9 GPa.

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Area of Science:

  • Materials Science
  • Solid State Chemistry
  • High-Pressure Physics

Background:

  • Tetramethylammonium borohydride (TMAB) is an ionic compound with potential applications.
  • Understanding its behavior under pressure is crucial for materials science.

Purpose of the Study:

  • To investigate the high-pressure structural behavior of TMAB using Raman spectroscopy and synchrotron X-ray diffraction.
  • To determine the pressure-induced structural transitions and their mechanisms.

Main Methods:

  • Raman spectroscopy and synchrotron X-ray diffraction were employed to study TMAB up to 40 GPa at room temperature.
  • Rietveld analysis and Le Bail fits were used to analyze diffraction data.
  • Pressure-volume equation of state was determined.

Main Results:

  • Weak pressure-induced structural transitions were observed around 5 and 20 GPa.
  • Transitions involve orientational ordering of BH(4)(-) tetrahedra and tilting of (CH(3))(4)N(+) groups.
  • The bulk modulus was determined to be K(0) = 5.9(6) GPa, with K(0)' = 9.6(4).
  • Transitions showed reversibility with hysteresis.
  • No bonding changes between ionic species or activation of dihydrogen bonding were observed.

Conclusions:

  • The structural transitions in TMAB under high pressure are primarily driven by molecular reorientation.
  • TMAB exhibits reversible structural changes with hysteresis up to 40 GPa.
  • The compound's bulk modulus is comparable to similar materials like ammonia borane.