Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1409910 | Journal of Molecular Structure | 2010 | 7 Pages |
Abstract
The structure of the high-nitrogen material, dihydrazinium 5,5â²-azotetrazolate dihydrate (HAT), was determined by neutron diffraction at 25Â K and reveals no significant deviations from the previously reported room temperature structure determined from X-ray diffraction. The vibrational spectrum of HAT was measured at 25Â K by inelastic neutron scattering (INS) spectroscopy. Solid-state quantum chemical calculations were used to simulate the INS spectrum of HAT and on the basis of the simulations and analysis of the experimental data, it was possible to assign the normal modes. A possible 'doorway mode' was found in the energy range defined by the lattice modes and the implications for the decomposition mechanism of HAT is discussed.
Related Topics
Physical Sciences and Engineering
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Authors
Jennifer A. Ciezak, S.F. Trevino,