RESUMEN
The first quasi-binary acetonitriletriide Sr3 [C2 N]2 has been synthesised and characterised. The nearly colourless crystals were obtained from the reaction of Sr metal, graphite, and elemental N2 , generated by decomposition of Sr(N3 )2 , in a sealed Ni ampoule with the aid of an alkali metal flux. The structure of this compound was analysed via single-crystal X-ray diffraction and the identity of the [C2 N]3- anion was confirmed by Raman spectroscopy and further investigated by quantum-chemical methods. Computed interatomic distances within the [C2 N]3- anion strikingly match the obtained experimental data.
RESUMEN
The unprecedented, fully deprotonated form of acetonitrile, the acetonitriletriide anion CCN3- , is experimentally realized for the first time in the stabilizing bulk host framework of the Ba5 [TaN4 ][C2 N] nitridometalate via a one-pot synthesis from the elements under moderate conditions (920â K). The molecular structure of this long-sought acetonitrile derivative is confirmed by X-ray diffraction, as well as NMR, IR, and Raman spectroscopy. The anion is isoelectronic to the CO2 molecule, and, in contrast to acetonitrile (H3 C-C≡N), the electron pairs are shifted towards two double bonds, that is, [C=C=N]3- .