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  Polymorphism of di­methyl­amino­borane N(CH3)2-BH2

Bodach, A., Bernert, T., Fischer, M., Ley, M. B., & Weidenthaler, C. (2021). Polymorphism of di­methyl­amino­borane N(CH3)2-BH2. Acta Crystallographica Section B, 77(2), 299-306. doi:10.1107/S2052520621001979.

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 Creators:
Bodach, Alexander1, Author              
Bernert, Thomas2, Author              
Fischer, Michael3, 4, Author
Ley, Morton Brix5, Author              
Weidenthaler, Claudia2, Author              
Affiliations:
1Research Group Felderhoff, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_3027887              
2Research Group Weidenthaler, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1950291              
3Crystallography/Geosciences, University Bremen, Klagenfurter Str., Bremen, 28359, Germany, ou_persistent22              
4MAPEX Center for Materials and Processes, University of Bremen, Bremen, 28359, Germany, ou_persistent22              
5Research Department Schüth, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445589              

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Free keywords: in situ; powder diffraction; dimethylamnoborane; hydrogen storage; polymorphism
 Abstract: De­hydro­coupling of the adduct of di­methyl­amine and borane, NH(CH3)2-BH3 leads to di­methyl­amino­borane with formal composition N(CH3)2-BH2. The structure of this product depends on the conditions of the synthesis; it may crystallize either as a dimer in a triclinic space group forming a four-membered ring [N(CH3)2-BH2]2 or as a trimer forming a six-membered ring [N(CH3)2-BH2]3 in an orthorhombic space group. Due to the denser packing, the six-membered ring in the trimer structure should be energetically more stable than the four-membered ring. The triclinic structure is stable at low temperatures. Heating the triclinic phase above 290 K leads to a second-order phase transition to a new monoclinic polymorph. While the crystal structures of the triclinic and orthorhombic phases were already known in the literature, the monoclinic crystal structure was determined from powder diffraction data in this study. Monoclinic di­methyl­amino­borane crystallizes in space group C2/m with the boron and nitro­gen atoms located on the mirror plane, Wyckoff position 4i, while the carbon and hydrogen atoms are on the general position 8j.

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Language(s): eng - English
 Dates: 2020-10-232021-02-192021-04-01
 Publication Status: Published online
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1107/S2052520621001979
 Degree: -

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Title: Acta Crystallographica Section B
  Abbreviation : Acta Crystallogr. Sect. B
Source Genre: Journal
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Publ. Info: New York : Wiley
Pages: - Volume / Issue: 77 (2) Sequence Number: - Start / End Page: 299 - 306 Identifier: ISSN: 0108-7681
CoNE: https://pure.mpg.de/cone/journals/resource/954925468299