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Lowering the Activation Energy under Mechanochemical Conditions: The Case of 2,3-diphenylquinoxaline
- Source :
- ChemistrySelect, ChemistrySelect, Wiley, 2016, 1 (5), p. 984-988. ⟨10.1002/slct.201600127⟩, ChemistrySelect, 2016, 1 (5), p. 984-988. ⟨10.1002/slct.201600127⟩
- Publication Year :
- 2016
- Publisher :
- HAL CCSD, 2016.
-
Abstract
- International audience; The kinetics of 2,3-diphenylquinoxaline synthesis was investigated in mechanochemical conditions aiming to estimate the overall activation energy. Arrhenius plot revealed a change in the activation energy around the eutectic melting of the powder mixture under mechanical activation. Below this transition zone the reaction between solids prevails, where the mechanical effects lower the activation energy. Above it, part of the energy is used to induce the eutectic, and the apparent activation energy is higher. DFT calculations showed a reaction barrier similar to the experimental one for higher temperatures. This study is the first that demonstrates the effect of mechanical energy to lower an activation barrier for ball milled organic reaction.
- Subjects :
- Green chemistry
Computational chemistry
Materials science
Kinetics
Thermodynamics
02 engineering and technology
General Chemistry
Activation energy
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Arrhenius plot
0104 chemical sciences
[SPI]Engineering Sciences [physics]
Mechanochemistry
0210 nano-technology
Powder mixture
Mechanical energy
Eutectic system
Subjects
Details
- Language :
- English
- ISSN :
- 23656549
- Database :
- OpenAIRE
- Journal :
- ChemistrySelect, ChemistrySelect, Wiley, 2016, 1 (5), p. 984-988. ⟨10.1002/slct.201600127⟩, ChemistrySelect, 2016, 1 (5), p. 984-988. ⟨10.1002/slct.201600127⟩
- Accession number :
- edsair.doi.dedup.....09c9f9635f3b93f5ccf57d84a462b71f