Charge Distribution of the NO2- Radical in Ferroelectric Sodium Nitrite

Abstract

The ¹⁴N nuclear quadrupole resonance spectrum of ferroelectric sodium nitrite is interpreted to yield the charge distribution of the nitrite radical. Contributions to the electric field gradient due to lattice changes are estimated by performing a lattice sum, while the local electrons are treated using the approximations of the Townes and Dailey theory. Occupation numbers for the N–O sigma‐ and pi‐bond wavefunctions are obtained, and the effective charge on the nitrogen is deduced. The latter quantity is found to be very close to zero.