Characterizing the Oxygen−Oxygen Interaction in the Dinitramide Anion

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Abstract
Atomic interactions between oxygen atoms have been analyzed in terms of the Theory of Atoms in Molecules for the biguanidium dinitramide and biguanidium bis-dinitramide crystals. The electron density has been derived from X-ray diffraction data obtained at 90 K, and the potential energy density has been calculated using the density functional approach. Bond critical points have been found on the O(1)···O(4) interatomic line in both the electron density and potential energy density gradient fields. The bond path and its associated virial path have been obtained. The interaction has been identified as a bonding closed-shell type interaction.