Experimental detection of trinitramide, N(NO2)3.
@article{Rahm2011ExperimentalDO, title={Experimental detection of trinitramide, N(NO2)3.}, author={Martin Rahm and Sergey V Dvinskikh and Istv{\'a}n Fur{\'o} and Tore Brinck}, journal={Angewandte Chemie}, year={2011}, volume={50 5}, pages={ 1145-8 } }
Propeller propellant: The largest nitrogen oxide to date, trinitramide (TNA), has been prepared following extensive quantum chemical studies in which its kinetic stability and several physical properties were estimated. TNA was detected using IR and NMR spectroscopy. The compound is highly energetic and shows promise for cryogenic propulsion and as a reagent in high-energy-density material research.
31 Citations
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References
SHOWING 1-10 OF 33 REFERENCES
Structure and stability of trinitramide
- Chemistry
- 1993
Ab initio calculations of the structure and thermochemistry of trinitramide, N(NO 2 ) 3 , are reported. A vibrationally stable C 3 structure having 1.545 A N-N bond lengths is found at the MP2/6-31 G…
A New Synthesis of Alkyl-N,N-dinitramines by Direct Nitration of Isocyanates
- Chemistry
- 1991
Abstract A facile conversion of aliphatic isocyanates to N,N-dinitramines has been developed. An aliphatic isocyanate is treated with a mixture of nitronium fluoroborate and nitric acid in…
Chemistry of Urea Nitro Derivatives: II. Synthesis of Nitramide from N,N'-Dinitrourea. New Reactions of Nitramide
- Chemistry
- 2002
Study of the hydrolysis of N,N'-dinitrourea resulted in the development of convenient procedures for synthesizing nitramide on the basis of urea. New reactions of nitramide were examined.
The anomalous solid state decomposition of ammonium dinitramide: a matter of surface polarization.
- ChemistryChemical communications
- 2009
Polarized dinitramide anions on the surface of solid ammonium dinitramide (ADN) have a decomposition barrier that is reduced by 16 kcal mol(-1) and explain the anomalous solid state decomposition of…
Kinetic stability and propellant performance of green energetic materials.
- Chemistry, EngineeringChemistry
- 2010
A thorough theoretical investigation of four promising green energetic materials is presented and all compounds are predicted to provide high specific impulses when combined with aluminum fuel and a polymeric binder, and rival or surpass the performance of a corresponding ammonium perchlorate based propellant.
15 N nuclear magnetic resonance studies of the NO–O2–NH3 reaction over ZSM-5 zeolites
- Chemistry
- 1992
15
N nuclear magnetic resonance spectra produced by adsorption on ZSM-5 zeolites of NO alone or together with O2 and NH3 have been examined. N2 and N2O as products of NO disproportionation were…
Kinetics of thermal decomposition of dinitramide
- Chemistry
- 1997
Kinetic regularities of thermal decomposition of dinitramide in aqueous and sulfuric acid solutions were studied in a wide temperature range. The rate of the thermal decomposition of dinitramide was…
On the anomalous decomposition and reactivity of ammonium and potassium dinitramide.
- ChemistryThe journal of physical chemistry. A
- 2010
Mechanistic pathways for the thermal decomposition of the solid-state energetic oxidizers ammonium dinitramide (ADN) and potassium dinitramide (KDN) have been deciphered by carefully considering…
Dinitramide ion: Robust molecular charge topology accompanies an enhanced dipole moment in its ammonium salt
- Chemistry, Physics
- 2003
The electron density, p(r), of crystalline ammonium dinitramide (ADN) was determined from low-temperature X-ray diffraction data and electronic structure calculations. Single molecule wave functions…