title: Spectro-thermal decomposition study of 1,4-dinitroglycoluril (DINGU).
abstract: Simultaneous thermal analysis and high temperature FTIR study of 1,4-dinitroglycoluril (DINGU) is reported. TG showed 90% weight loss in the temperature range 225-250 degrees C. Isothermal TG of DINGU showed about 70% weight loss in the temperature range 210-230 degrees C. Kinetic parameters evaluated using a computer program showed that alpha-t data are best described by the Avrami-Erofeev's equation for n=2 with an activation energy of 165 kJ/mol. The kinetics of decomposition of DINGU was followed by studying NH (3388 cm(-1)), CO (1770-1810 cm(-1)) and NO2 symmetric stretching (1565-1570 cm(-1)) IR bands. All three bands showed loss of intensity with temperature and time. alpha-t data of decomposition with respect to NO2 stretching was again best described by the Avrami-Erofeev's equation for n=2. Gaseous decomposition products observed in the IR were N2O, NO2, CO2, HCN and NO. PM3 and Hartree-Fock level calculations on various bond lengths, bond angles and dihedral angles were computed to support the analysis of decomposition study using TG and IR. The data showed that CN and NH bonds are much shorter than the NN bonds, indicative of the weaker NN bond and hence, the possibilities of rupture of the same bond preferentially. This paper also discusses the sensitivity and performance properties of DINGU.
authors.affiliation: High Energy Materials Research Laboratory, Sutarwadi, Pune 411021, India.
authors.forename: V H
authors.initials: VH
authors.lastname: Khire
authors.forename: M B
authors.initials: MB
authors.lastname: Talawar
authors.forename: K V
authors.initials: KV
authors.lastname: Prabhakaran
authors.forename: T
authors.initials: T
authors.lastname: Mukundan
authors.forename: E M
authors.initials: EM
authors.lastname: Kurian
mesh_terms: D005107:Explosions; D006574:Heterocyclic Compounds, 2-Ring / Q000737:chemistry*; D007700:Kinetics; D008962:Models, Theoretical; D008970:Molecular Weight; D009574:Nitro Compounds / Q000737:chemistry*; D012984:Software; D013696:Temperature
chemical_list: C501688:1,4-dinitroglycoluril; D006574:Heterocyclic Compounds, 2-Ring; D009574:Nitro Compounds