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Experimental and Theoretical Studies on Some Energetic Functionalized Trimethylamine Derivatives |
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| Authors: | Thomas?M Klapötke Prof?Dr Burkhard Krumm Dr Matthias Scherr Dr F?Xaver Steemann Dr Klaus Banert Prof?Dr Young‐Hyuk Joo Dr |
| Institution: | 1. Department of Chemie und Biochemie, Ludwig‐Maximilians‐Universit?t München, Butenandtstrasse 5–13, 81377 München (Germany), Fax: (+49)?89‐2180‐77492;2. Institute of Chemistry, Chemnitz University of Technology, Strasse der Nationen 62, 09111 Chemnitz (Germany) |
| Abstract: | 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 NC3 units at their amine center, and the substituents bound to the CH2 groups tend to be reactive towards further substitution. Multiple hyperconjugation was used to explain these observations. |
| Keywords: | amines density functional calculations planarity X‐ray diffraction |