Abstract
Phonon dispersion curves, far-IR and low-frequency Raman spectra (below 200 cm −1) of 4-nitropyridine N-oxide (NPO) including results at high pressure and low temperature are reported and interpreted with the help of a lattice-dynamical calculation using atom—atom Buckingham-type potentials and a multipole expansion up to the quadrupole. The charge transfer process is analysed through its manifestations on the model parameters of some short intermolecular interactions. The good agreement between calculation and experience is confirmed by using the same model to interpret the experimental results of inelastic neutron scattering along the b ∗ direction of a deuterated NPO- d4 single crystal.
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