Journal of the Chemical Society. Perkin transactions II p. 1237 - 1242 (1989)
Update date:2022-08-29
Topics:
Krishnan, Ashwin M.
Sjoberg, Per
Politzer, Peter
Boyer, Joseph H.
Guanidinium trinitromethanide monohydrate has been obtained from quanidinium 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 quanidinium 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.
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