A new cocrystal explosive trinitrotoluene (TNT):1-amino-4-bromonaphthalene with reduced sensitivity

Nilgün ŞEN

Article Details

A new cocrystal explosive trinitrotoluene (TNT):1-amino-4-bromonaphthalene with reduced sensitivity

Authors:

Nilgün ŞEN

Publisher:

TUBITAK

Main Topics:

Applied physics

Journal:

Turkish Journal of Chemistry 2018 Vol.42 Issue 5, pp.1321-1333

Document Type:

Article

Publication Date:

10/2018

Document Language:

English

Document ID (Org No.):

2000725998

Frequency:

Bimonthly

eISSN:

1303-6130

pISSN:

1300-0527

Abstract:

 


 
                         A 1:1 cocrystal of TNT and 1-amino-4-bromonaphthalene was 
prepared via solvent evaporation. The structure of the cocrystal was 
determined via single-crystal and powder X-ray diffraction. Crystal 
structure determination studies indicated that the main mechanism of 
cocrystallization originates from the intermolecular hydrogen bonding 
(amino-nitro), halogen bonding, and π−π π  −  π  π−ππ−π\pi -\pi  stacking. Investigation 
of intermolecular interactions by Hirshfeld surface and fingerprint plot 
analysis revealed that the structures were stabilized by H...H, 
O...H, C...C (π−π) π  −  π  )  π−π)π−π)\pi -\pi ) and Br...O 
interactions. Hirshfeld surfaces showed that these weak interactions were 
significant for crystal packing. We analyzed the crystal packing and showed 
how this may influence sensitivity to impact. The 
TNT:1-amino-4-bromonaphthalene cocrystal displays significantly reduced 
impact sensitivity relative to pure TNT, indicating for the first time that 
a new TNT cocrystal was less sensitive to impact than pure TNT component. 
This difference in impact sensitivities may arise from the considerably 
different intermolecular interactions seen in the cocrystal structure. The 
results highlight that cocrystallization is an effective way to alter the 
impact sensitivity, detonation performance, decomposition temperature, 
melting point, oxygen balance, crystal packing, and the density of 
explosives.
                    

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Article Details

A new cocrystal explosive trinitrotoluene (TNT):1-amino-4-bromonaphthalene with reduced sensitivity

Authors: Nilgün ŞEN

Publisher: TUBITAK

Main Topics: Applied physics

Journal: Turkish Journal of Chemistry 2018 Vol.42 Issue 5, pp.1321-1333

Document Type: Article

Publication Date: 10/2018

Document Language: English

Document ID (Org No.): 2000725998

Frequency: Bimonthly

eISSN: 1303-6130

pISSN: 1300-0527

Issues

Authors:

Nilgün ŞEN

Publisher:

TUBITAK

Main Topics:

Applied physics

Journal:

Turkish Journal of Chemistry 2018 Vol.42 Issue 5, pp.1321-1333

Document Type:

Article

Publication Date:

10/2018

Document Language:

English

Document ID (Org No.):

2000725998

Frequency:

Bimonthly

eISSN:

1303-6130

pISSN:

1300-0527