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Protonation of Nitramines: Where does the Proton go

Thomas Saal ; Martin Rahm (Institutionen för kemi och kemiteknik, Fysikalisk kemi) ; Karl O. Christe ; Ralf Haiges
Angew. Chem. Int. Ed. (1521-3757). Vol. 56 (2017), 32, p. 9587-9591 .
[Artikel, refereegranskad vetenskaplig]

The reactions of nitramine, N-methyl nitramine and N,N-dimethyl nitramine with anhydrous HF and the superacids HF/MF5 (M = As, Sb) were investigated at temperatures below -40 °C. In solution, exclusive O-protonation was observed by multinuclear NMR spectroscopy. Whereas no solid product could be isolated from the neat HF solutions even at -78 °C, in the HF/MF5 systems, protonated nitramine MF6- salts were isolated for the first time as moisture-sensitive solids that decompose at temperatures above -40 °C. In the solid state, depending on the counter-ion, O-protonated or N-protonated cations can be formed, in accord with theoretical calculations which show that the energy differences between O-protonation and N-protonation are very small. The [H2N-NO2H][AsF6], [H3N-NO2][SbF6], [MeHNNO2H][SbF6], and [Me2NNO2H][SbF6] salts were characterized by their X-ray crystal structures.

Nyckelord: nitramines, hydrogen fluoride, superacids, nitrate ions, protonation

Denna post skapades 2017-07-10. Senast ändrad 2017-09-14.
CPL Pubid: 250597


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