In the previous post I described how hydronium hydroxide or H3O+…HO–, an intermolecular tautomer of water, has recently been observed captured inside an organic cage[cite]10.1002/chem.201406383[/cite] and how the free-standing species in water can be captured computationally with the help of solvating water bridges.
AbstractHighly energetic 1,5‐di(nitramino)tetrazole and its salts were synthesized. The neutral compound is very sensitive and one of the most powerful non‐nuclear explosives to date. Selected nitrogen‐rich and metal salts were prepared. The potassium salt can be used as a sensitizer in place of tetracene. The obtained compounds were characterized by low‐temperature X‐ray diffraction, IR and Raman spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and DSC. Calculated energetic performances using the EXPLO5 code based on calculated (CBS‐4M) heats of formation and X‐ray densities support the high energetic performances of the 1,5‐dinitraminotetrazolates as energetic materials. The sensitivities towards impact, friction, and electrostatic discharge were also explored.
AbstractH3O+ and OH−, formed by the self‐ionization of two coordinating water molecules during the crystal growing of a host molecule [1,3,5‐tris(hydroxymethyl)2,4,6‐triethylbenzene (1)], could be effectively stabilized by hydrogen‐bonding interactions with the preorganized hydroxy groups of three molecules of 1. The binding motifs observed in the complex (1)3⋅H3O+⋅HO− show remarkable similarity to those postulated for the hydrated hydronium and hydroxide ion complexes, which play important roles in various chemical, biological, and atmospheric processes, but their molecular structures are still not fully understood and remain a subject of intensive research.
Related Article: Dennis Fischer, Thomas M. Klapotke, Jorg Stierstorfer|2015|Angew.Chem.,Int.Ed.|54|10299|doi:10.1002/anie.201502919
Related Article: D.Fischer, T.M.Klapotke, J.Stierstorfer|2012|Propellants,Explos.,Pyrotech.|37|156|doi:10.1002/prep.201100108