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Polymorphism of dimethylaminoborane N(CH3)2-BH2.

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  • 1Heterogeneous Catalysis, Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, Mülheim an der Ruhr, 45470, Germany.

Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|April 12, 2021
PubMed
Summary

Dimethylaminoborane undergoes dehydrocoupling to form cyclic structures. This study determined the monoclinic crystal structure of dimethylaminoborane, revealing its phase transition behavior and energetic stability.

Keywords:
dimethylamnoboranehydrogen storagein situpolymorphismpowder diffraction

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Area of Science:

  • Inorganic Chemistry
  • Crystallography
  • Materials Science

Background:

  • Dimethylamine-borane adducts are precursors to aminoboranes.
  • Aminoboranes can form cyclic dimers or trimers with varying structures.
  • Polymorphism in dimethylaminoborane affects its stability and properties.

Purpose of the Study:

  • To investigate the dehydrocoupling of dimethylamine-borane.
  • To determine the crystal structure of dimethylaminoborane polymorphs.
  • To understand the phase transition behavior and energetic stability of dimethylaminoborane.

Main Methods:

  • Synthesis of dimethylaminoborane via dehydrocoupling.
  • X-ray diffraction analysis (powder and single-crystal).
  • Differential scanning calorimetry (DSC) for phase transition studies.

Main Results:

  • Dimethylaminoborane crystallizes as a dimer (triclinic) or trimer (orthorhombic).
  • The trimeric, six-membered ring structure is energetically more stable due to denser packing.
  • A phase transition from the triclinic to a monoclinic polymorph occurs above 290 K.
  • The monoclinic crystal structure (space group C2/m) was determined from powder diffraction data.

Conclusions:

  • The synthesis conditions dictate the crystalline form of dimethylaminoborane.
  • The monoclinic polymorph represents a stable phase at higher temperatures.
  • Understanding the polymorphism is crucial for controlling the properties of dimethylaminoborane.