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  Molecular structure of di­ethylaminoalane in the solid state: an X-ray powder diffraction, DFT calculation and Raman spectroscopy study

Bernert, T., Ley, M. B., Ruiz-Fuertes, J., Fischer, M., Felderhoff, M., & Weidenthaler, C. (2016). Molecular structure of di­ethylaminoalane in the solid state: an X-ray powder diffraction, DFT calculation and Raman spectroscopy study. Acta Crystallographica Section B, 72(2), 232-240. doi:10.1107/S2052520616000093.

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 Creators:
Bernert, Thomas1, Author           
Ley, Morton B.2, Author           
Ruiz-Fuertes, Javier3, Author
Fischer, Michael4, 5, Author
Felderhoff, Michael2, Author           
Weidenthaler, Claudia1, Author           
Affiliations:
1Research Group Weidenthaler, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1950291              
2Research Department Schüth, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445589              
3Goethe-Universität Frankfurt am Main, Institut für Geowissenschaften, Abt. Kristallographie, Altenhöferallee 1, D-60438 Frankfurt am Main, Germany, ou_persistent22              
4Fachgebiet Kristallographie, Fachbereich Geowissenschaften, University of Bremen, Klagenfurter Strasse, D-28359 Bremen, Germany, ou_persistent22              
5MAPEX Center for Materials and Processes, University of Bremen, Germany, ou_persistent22              

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Free keywords: solid-state hydrogen storage; X-ray powder diffraction; density functional theory
 Abstract: The crystal structure of diethylaminoalane, [H2Al—N(C2H5)2]2, was determined by X-ray powder diffraction in conjunction with DFT calculations. Diethyl­aminoalane crystallizes in the monoclinic space group P21/c with a = 7.4020 (2), b = 12.9663 (3), c = 7.2878 (2) Å and β = 90.660 (2)° at 293 K. The crystal structure was confirmed by DFT calculations and Raman spectroscopy. The molecular structure of diethylaminoalane consists of dimers of [H2Al—N(CH2CH3)2] in which an Al2N2 four-membered ring is formed by a center of inversion. Such an arrangement of the aminoalane moieties in the crystal structure is well known for this class of compound, as shown by the comparison with ethylmethyl­aminoalane and diisopropylaminoalane.

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Language(s): eng - English
 Dates: 2016-04-012016-04-01
 Publication Status: Published in print
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1107/S2052520616000093
 Degree: -

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Title: Acta Crystallographica Section B
  Other : Acta Crystallogr. Sect. B
Source Genre: Journal
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Publ. Info: New York : Wiley
Pages: - Volume / Issue: 72 (2) Sequence Number: - Start / End Page: 232 - 240 Identifier: ISSN: 0108-7681
CoNE: https://pure.mpg.de/cone/journals/resource/954925468299