Accession Number:

ADA329356

Title:

Computed Properties of 1 ,1-Diamino-2,2-Dinitroethylene

Descriptive Note:

Technical rept.

Corporate Author:

NEW ORLEANS UNIV LA DEPT OF CHEMISTRY

Report Date:

1997-08-15

Pagination or Media Count:

9.0

Abstract:

For 1,1-diamino-2,2-dinitroethylene, H2N2CCNO22, computational techniques have been used to predict its solid, liquid and gas phase heats of formation, its heats of vaporization and sublimation, its specific impulse, the C-NO2 and C-NH2 bond strengths, and its molecular geometry. There is significant intramolecular hydrogen bonding as well as electron delocalization, both of which stabilize the molecule and increase the C-NO2 and C-NH2 dissociation energies this is expected to diminish the compounds impact and shock sensitivities.

Subject Categories:

  • Organic Chemistry
  • Physical Chemistry
  • Numerical Mathematics
  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE