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Molecular structure of diethylaminoalane in the solid state: an X‐ray powder diffraction, DFT calculation and Raman spectroscopy study
Author(s) -
Bernert Thomas,
Ley Morten B.,
Ruiz-Fuertes Javier,
Fischer Michael,
Felderhoff Michael,
Weidenthaler Claudia
Publication year - 2016
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520616000093
Subject(s) - raman spectroscopy , powder diffraction , solid state , materials science , diffraction , crystallography , x ray , spectroscopy , x ray crystallography , analytical chemistry (journal) , chemistry , optics , physics , organic chemistry , quantum mechanics
The crystal structure of diethylaminoalane, [H 2 Al—N(C 2 H 5 ) 2 ] 2 , was determined by X‐ray powder diffraction in conjunction with DFT calculations. Diethylaminoalane crystallizes in the monoclinic space group P 2 1 / 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 [H 2 Al—N(CH 2 CH 3 ) 2 ] in which an Al 2 N 2 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.