DID YOU KNOW? DTIC has over 3.5 million final reports on DoD funded research, development, test, and evaluation activities available to our registered users. Click HERE
to register or log in.
An AB Initio Study of Dimethyl Nitramine.
TEXAS UNIV AT AUSTIN
Pagination or Media Count:
The most stable configuration of Dimethyl Nitramine is non-planar in agreement with the low temperature x-ray diffraction structure, but in disagreement with the electron diffraction structure. One dimensional potential surfaces are calculated for the Nitrous Oxide inversion, Nitrogen Nitrogen torsion and methyl inversion internal coordinates. Methyl group inversion is a very low energy motion. Changing the coordinate from the planar position to 40 degrees out-of-plane requires only 400 calmole. The methyl group inversion ground vibrational state is below the inversion barrier, while all of the excited states are above the barrier.
APPROVED FOR PUBLIC RELEASE