The exothermic decompositions of the tosyl azide 1, five substituted aryl monoazides 2–6 and two diazides: 1-azido-4-(4-azidophenoxy)benzene 7 and 1-azido-4-[(4-azidophenyl)sulfanyl]benzene 8 were studied experimentally using DSC, weight loss TGA-FTIR and C80-FTIR techniques, and theoretically using the CHETAH software. Numerical modelling and electron impact mass spectrometry (EI-MS) were also performed to investigate the nature of the intrinsic molecular reactivity of azides 1–8, and the possible early stage rate-controlling of an oxidative self-heating process. Significant data were obtained in the instances of 4-methylbenzenesulfonyl azide 1, 4-azido-1,10-biphenyl-2,2-azido-1,10-biphenyl 3 and 1-azido-2-(trifluoromethyl)benzene 6. The most likely decomposition pathways of the azides are proposed to explain the observed thermal behavior.
Titolo: | Hazardous N-Containing System: Thermochemical and Computational Evaluation of the Intrinsic Molecular Reactivity of Some Aryl Azides and Diazides | |
Autori: | ||
Data di pubblicazione: | 2008 | |
Rivista: | ||
Abstract: | The exothermic decompositions of the tosyl azide 1, five substituted aryl monoazides 2–6 and two diazides: 1-azido-4-(4-azidophenoxy)benzene 7 and 1-azido-4-[(4-azidophenyl)sulfanyl]benzene 8 were studied experimentally using DSC, weight loss TGA-FTIR and C80-FTIR techniques, and theoretically using the CHETAH software. Numerical modelling and electron impact mass spectrometry (EI-MS) were also performed to investigate the nature of the intrinsic molecular reactivity of azides 1–8, and the possible early stage rate-controlling of an oxidative self-heating process. Significant data were obtained in the instances of 4-methylbenzenesulfonyl azide 1, 4-azido-1,10-biphenyl-2,2-azido-1,10-biphenyl 3 and 1-azido-2-(trifluoromethyl)benzene 6. The most likely decomposition pathways of the azides are proposed to explain the observed thermal behavior. | |
Handle: | http://hdl.handle.net/11368/2888281 | |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1039/b707931c | |
Appare nelle tipologie: | 1.1 Articolo in Rivista |