Klapötke Thomas M, Krumm Burkhard, Ilg Rainer, Troegel Dennis, Tacke Reinhold
Department of Chemistry and Biochemistry, Ludwig-Maximilians-University of Munich, Munich, Germany.
J Am Chem Soc. 2007 May 30;129(21):6908-15. doi: 10.1021/ja071299p. Epub 2007 May 4.
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-pentaerythritol tetranitrate, Si(CH2ONO2)4 (2b)). Compounds 1b and 2b are extremely shock-sensitive materials and very difficult to handle. Spectroscopic data were obtained as good as sensitivity and safety allowed for umambiguous 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.
四（氯甲基）硅烷（Si(CH₂Cl)₄）与叠氮化钠反应生成四（叠氮甲基）硅烷（硅代季戊四醇四叠氮化物，Si(CH₂N₃)₄ (1b)）。四（羟甲基）硅烷（Si(CH₂OH)₄）与硝酸硝化反应生成四（硝酸甲酯基）硅烷（硅代季戊四醇四硝酸酯，Si(CH₂ONO₂)₄ (2b)）。化合物1b和2b是极其敏感的冲击材料，很难处理。在灵敏度和安全性允许的情况下，获得了光谱数据以进行明确鉴定。对C/Si对C(CH₂OH)₄/Si(CH₂OH)₄、1a/1b和2a/2b的结构和电子布居进行了量子化学计算（DFT）。
