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

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Bernert,  Thomas
Research Group Weidenthaler, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Ley,  Morton Brix
Research Department Schüth, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Felderhoff,  Michael
Research Department Schüth, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Weidenthaler,  Claudia
Research Group Weidenthaler, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

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, 232-240. doi:10.1107/S2052520616000093.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002A-2970-8
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.