Multistep Thermolysis Mechanisms of Azido-s-triazine Derivatives and Kinetic Compensation Effects for the Rate-Limiting Processes

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F15%3A39900177" target="_blank" >RIV/00216275:25310/15:39900177 - isvavai.cz</a>
Result on the web
<a href="http://pubs.acs.org/doi/full/10.1021/acs.jpcc.5b01607" target="_blank" >http://pubs.acs.org/doi/full/10.1021/acs.jpcc.5b01607</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.5b01607" target="_blank" >10.1021/acs.jpcc.5b01607</a>

Result language
angličtina
Original language name
Multistep Thermolysis Mechanisms of Azido-s-triazine Derivatives and Kinetic Compensation Effects for the Rate-Limiting Processes
Original language description
The decompositon kinetics and mechanisms of 2-amino-4,6,-diazido-s-triazine and its derivatives were studied using TG techniques and quantum chemical calculations. The kinetic compensation effect for their rate-limiting steps is found. The decompositionof 4,6-diazido-2-amino-1,3,5-triazine (DAAT) does not follow any ideal model due to strong interaction of overlapped reactions. All four decompn. steps of DANT as well as the first step of 4,4',6,6'-tetra(azido)hydrazo-1,3,5-triazine (TAHT) follow the same A2 model. The first two steps of TANDAzT decomposition are controlled by a phase boundary controlled mechanism, while the third and fourth steps roughly follow a two-dimensional diffusion model. The first step of DANT decomposition is featured by scission of a NH-NO2 bond via HONO elimination, which is very similar to nitramine decomposition. Decomposition of DAAT and DANT is featured by azido group scission, and the latter is greatly affected by elimination of HONO. As a comparison,
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/VG20102014032" target="_blank" >VG20102014032: Research of improvised explosives detection by dogs</a><br>
Continuities
S - Specificky vyzkum na vysokych skolach

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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