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
Personal Author(s):
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.
Descriptors:
- *COMPUTATIONS
- *CHEMICAL PROPERTIES
- *ORGANIC NITROGEN COMPOUNDS
- *ENERGETIC PROPERTIES
- HYDROGEN BONDS
- IMPACT
- LIQUIDS
- SOLIDS
- VAPOR PHASES
- GASES
- ETHYLENE
- ELECTRONS
- SHOCK
- MOLECULAR STRUCTURE
- MOLECULE MOLECULE INTERACTIONS
- NITROGEN OXIDES
- SPECIFIC IMPULSE
- HEAT OF VAPORIZATION
- HEAT OF FORMATION
- HEAT OF SUBLIMATION
Subject Categories:
- Organic Chemistry
- Physical Chemistry
- Numerical Mathematics
- Atomic and Molecular Physics and Spectroscopy