Experimental and Theoretical Studies on Some Energetic Functionalized Trimethylamine Derivatives

Thomas M. Klapctke; Burkhard Krumm; Matthias Scherr; F. Xaver Steemann; Klaus Banert; Young-Hyuk Joo

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Experimental and Theoretical Studies on Some Energetic Functionalized Trimethylamine Derivatives

机译：某些高能功能化三甲胺衍生物的实验和理论研究

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The synthesis and structural properties (from X-ray diffraction or B3LYP/6-31G(d) calculations) of three energetic compounds derived from tris- ACHTUNGTRENUNG(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.

机译：研究了由tris-乙酰丙酮（氯甲基）胺衍生的三种高能化合物和tris（氯甲基）胺本身的合成和结构性质（根据X射线衍射或B3LYP / 6-31G（d）计算），并将其与具有相似结构的化合物。该化合物在其胺中心具有几乎平面的NC3单元，与CH2基团结合的取代基往往对进一步取代具有反应性。多次过度共轭被用来解释这些观察结果。

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《Chemistry: A European journal》 |2009年第42期|共5页
作者
Thomas M. Klapctke; Burkhard Krumm; Matthias Scherr; F. Xaver Steemann; Klaus Banert; Young-Hyuk Joo;
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正文语种 eng
中图分类应用化学;
关键词
amines; density functional calculations; planarity; X-ray diffraction;

机译：胺;密度泛函计算;平面度;X射线衍射;

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Experimental and Theoretical Studies on Some Energetic Functionalized Trimethylamine Derivatives

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