The Sila-Explosives Si(CH_2N_3)_4 and Si(CH_2ONO_2)_4: Silicon Analogues of the Common Explosives Pentaerythrityl Tetraazide, C(CH_2N_3)_4, and Pentaerythritol Tetranitrate, C(CH_2ONO_2)_4

摘要

The reaction of tetrakis(chloromethyl)silane, Si(CH_2Cl)_4, with sodium azide afforded tetrakis-(azidomethyl)silane (sila-pentaerythrityl tetraazide, Si(CH_2N_3)_4 (1b)). Nitration of tetrakis(hydroxymethyl)-silane, Si(CH_2OH)_4, with nitric acid resulted in the formation of tetrakis(nitratomethyl)silane (sila-pentaerythritol tetranitrate, Si(CH_2ONO_2)_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(CH_2OH)_4/Si(CH_2-OH)_4, 1a/1b, and 2a/2b regarding the structures and electronic populations were performed.