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Issue 1, 2008
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Hazardous N-containing system: thermochemical and computational evaluation of the intrinsic molecular reactivity of some aryl azides and diazides

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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-1,1′-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.

Graphical abstract: Hazardous N-containing system: thermochemical and computational evaluation of the intrinsic molecular reactivity of some aryl azides and diazides

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Article information


Submitted
24 May 2007
Accepted
01 Aug 2007
First published
21 Aug 2007

New J. Chem., 2008,32, 47-53
Article type
Paper

Hazardous N-containing system: thermochemical and computational evaluation of the intrinsic molecular reactivity of some aryl azides and diazides

P. Cardillo, L. Gigante, A. Lunghi, A. Fraleoni-Morgera and P. Zanirato, New J. Chem., 2008, 32, 47
DOI: 10.1039/B707931C

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