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Experimental and Theoretical Studies on Some Energetic Functionalized Trimethylamine Derivatives
Author(s) -
Klapötke Thomas M.,
Krumm Burkhard,
Scherr Matthias,
Steemann F. Xaver,
Banert Klaus,
Joo YoungHyuk
Publication year - 2009
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200901114
Subject(s) - amine gas treating , trimethylamine , chemistry , tris , hyperconjugation , computational chemistry , substitution (logic) , diffraction , crystallography , medicinal chemistry , organic chemistry , molecule , biochemistry , physics , computer science , optics , programming language
The synthesis and structural properties (from X‐ray diffraction or B3LYP/6‐31G(d) calculations) of three energetic compounds derived from tris(chloromethyl)amine and of tris(chloromethyl)amine itself were investigated and compared to those of compounds with similar structures. The compounds have almost planar NC 3 units at their amine center, and the substituents bound to the CH 2 groups tend to be reactive towards further substitution. Multiple hyperconjugation was used to explain these observations.