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• 作者：Thomas M. Klapö ; tke ; Burkhard Krumm ; Rainer Ilg ; Dennis Troegel ; Reinhold Tacke
• 刊名：Journal of the American Chemical Society
• 出版年：2007
• 出版时间：May 30, 2007
• 年：2007
• 卷：129
• 期：21
• 页码：6908 - 6915
• 全文大小：951K
• 年卷期：v.129,no.21(May 30, 2007)
• ISSN：1520-5126

文摘

The reaction of tetrakis(chloromethyl)silane, Si(CH₂Cl)₄, with sodium azide afforded tetrakis(azidomethyl)silane (sila-pentaerythrityl tetraazide, Si(CH₂N₃)₄ (1b)). Nitration of tetrakis(hydroxymethyl)silane, Si(CH₂OH)₄, with nitric acid resulted in the formation of tetrakis(nitratomethyl)silane (sila-pentaerythritoltetranitrate, Si(CH₂ONO₂)₄ (2b)). Compounds 1b and 2b are extremely shock-sensitive materials and verydifficult to handle. Spectroscopic data were obtained as good as sensitivity and safety allowed forumambiguous identification. Quantum chemical calculations (DFT) of the C/Si pairs C(CH₂OH)₄/Si(CH₂OH)₄, 1a/1b, and 2a/2b regarding the structures and electronic populations were performed.