Spectroscopic Investigation of the Primary Reaction Intermediates in the Oxidation of Levitated Droplets of Energetic Ionic Liquids.
J Phys Chem Lett
; 8(24): 6053-6059, 2017 Dec 21.
Article
in En
| MEDLINE
| ID: mdl-29183120
ABSTRACT
The production of the next generation of hypergolic, ionic-liquid-based fuels requires an understanding of the reaction mechanisms between the ionic liquid and oxidizer. We probed reactions between a levitated droplet of 1-methyl-4-amino-1,2,4-triazolium dicyanamide ([MAT][DCA]), with and without hydrogen-capped boron nanoparticles, and the nitrogen dioxide (NO2) oxidizer. The apparatus exploits an ultrasonic levitator enclosed within a pressure-compatible process chamber equipped with complementary Raman, ultraviolet-visible, and Fourier-transform infrared (FTIR) spectroscopic probes. Vibrational modes were first assigned to the FTIR and Raman spectra of droplets levitated in argon. Spectra were subsequently collected for pure and boron-doped [MAT][DCA] exposed to nitrogen dioxide. By comparison with electronic structure calculations, some of the newly formed modes suggest that the N atom of the NO2 molecule bonds to a terminal N on the dicyanamide anion yielding [O2N-NCNCN]-. This represents the first spectroscopic evidence of a key reaction intermediate in the oxidation of levitated ionic liquid droplets.
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01-internacional
Database:
MEDLINE
Language:
En
Journal:
J Phys Chem Lett
Year:
2017
Document type:
Article
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