Guanidinium trinitromethanide

Guanidinium trinitromethanide monohydrate has been obtained from guanidinium chloride and either potassium trinitromethanide or iodotrinitromethane. An ab initio SCF–MO computational procedure (GAUSSIAN82) has been used to determine the optimized structures of guanidinium trinitromethanide and tricyanomethanide, the guanidinium cation, the trinitromethanide, tricyanomethanide, and cyanodinitromethanide anions. Electrostatic potentials have also been computed for the first two anions, as well as for the methanide anion.