Distribution of Charge on the Azide Ion in NaN3

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Abstract
The NMR spectrum of powdered NaN3 has been observed at room temperature and below. From this result the distribution of charge on the azide (N3−) ion, based on a simple point‐charge model can be deduced to be −0.857e on the outer nitrogen atoms and +0.714e on the central nitrogen atom. This is to be compared with a previous theoretical estimate based on a molecular orbital approach of −0.83e on each of the outer nitrogen atoms. Using this ``experimental'' value for the charge distribution the lattice energy of NaN3 has been calculated on a term‐by‐term basis, yielding 178.2 kcal/mole, as compared with the experimental value of 175 kcal/mole, derived from the heat of hydration.