Trinitramide

Structural formula
General
Surname	Trinitramide
Molecular formula	N 4 O 6
External identifiers / databases
CAS number 113282-38-5 PubChem 57459337 ChemSpider 24751851 Wikidata Q423775
properties
Molar mass	152.02 g mol −1
safety instructions
GHS hazard labeling no classification available
As far as possible and customary, SI units are used. Unless otherwise noted, the data given apply to standard conditions .

Trinitramide is a nitrogen - oxygen - compound which is formally as nitric oxide can be seen.

history

A theoretical calculation from 1993 predicted the existence of a possibly stable connection. The first production was described in 2011 by a working group at the Royal Institute of Technology in Stockholm.

Presentation and extraction

It is produced by nitrating potassium or ammonium dinitramide solutions using nitryl tetrafluoroborate in acetonitrile at low temperatures.

${\displaystyle \mathrm {NH_{4}N(NO_{2})_{2}+NO_{2}BF_{4}\longrightarrow N(NO_{2})_{3}+NH_{4}BF_{4}} }$

properties

The connection has so far only been established in solution. The detection was carried out by means of IR spectroscopy and ¹⁴ N NMR spectroscopy . Derived from the production by reaction of dinitramide anions and nitryl cations , two constitutional isomers can be formulated. Quantum chemical calculations show that the "real" trinitramide structure N (NO ₂ ) _{3 is} energetically more favorable and was therefore only found in experiments.

use

An application as a rocket fuel has been postulated. The suitability as an example substance in the research of materials with high energy density is more likely.

Individual evidence

1. ↑ This substance has either not yet been classified with regard to its hazardousness or a reliable and citable source has not yet been found.
2. ↑ Montgomery Jr., JA; Michels, HH: Structure and stability of trinitramid in J. Phys. Chem. 97 (1993) 6774-6775, doi : 10.1021 / j100128a005 .
3. ↑ ^{a b c d e f} Rahm, M .; Dvinskikh, SV; Furo, I .; Brinck, T .: Experimental Detection of Trinitramide, N (NO ₂ ) ₃ in Angew. Chem. 123 (2011) 1177-1180, doi : 10.1002 / anie.201007047 .
4. ↑ Chen, Z .; Hamilton, TP: Ab Initio Calculation of the Heats of Formation of Nitrosamides: Comparison with Nitramides in J. Phys. Chem. A 103 (1999) 11026-11033, doi : 10.1021 / jp991735x .
5. ^ Discovery of New Molecule Could Lead to More Efficient Rocket Fuel , Science Daily , December 22, 2010