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EnglishThe 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 the azides 1 — 8, and the possible early stages rate-controlling of an oxidative self-heating process. Significant data were obtained in the instances of 4-methyl-benzenesulfonyl azide 1, 4-azido-1,1’-biphenyl 2, 2-azido-1,1’-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. |
| Autore/i: | P. Cardillo; L. Gigante; A. Lunghi; FRALEONI MORGERA, ALESSANDRO; ZANIRATO, PAOLO |
| Autore/i Unibo: | |
| Anno: | 2008 |
| Rivista: | |
| Digital Object Identifier (DOI): | http://dx.doi.org/10.1039/b707931c |
| 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 the azides 1 — 8, and the possible early stages rate-controlling of an oxidative self-heating process. Significant data were obtained in the instances of 4-methyl-benzenesulfonyl azide 1, 4-azido-1,1’-biphenyl 2, 2-azido-1,1’-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. |
| Data prodotto definitivo in UGOV: | 2008-01-19 11:23:44 |
| Appare nelle tipologie: | 1.01 Articolo in rivista |
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http://hdl.handle.net/11585/46505
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