An experimental and computational investigation of the formation and structures of N-hydro and N,N'-dihydro-benzo-2,1,3-chalcogenadiazolium chlorides

The conjugate acids of benzo-2,1,3-selena- and benzo-2,1,3-telluradiazole are the simplest members of the family of N-substituted chalcogenadiazolium cations. Four crystalline phases that in principle contain such molecular ions were isolated and structurally characterized: CH(NH)TeCl, [CH(NH)][CH(NH)TeCl]Cl, CHN(NH)SeCl and CHN(NH)SeCl · 1/2 [HO]Cl. The stepwise protonation of benzo-2,1,3-teluradiazole in DMSO solution was monitored by H NMR, …