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Lowering the Activation Energy under Mechanochemical Conditions: The Case of 2,3-diphenylquinoxaline

机译:降低机械化学条件下的活化能:2,3-二苯基喹氧甲素的情况

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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.
机译:在旨在估计总体活化能的机械化学条件下研究了2,3-二苯基喹啉合成的动力学。 Arrhenius图揭示了在机械激活下粉末混合物的共晶融化周围的激活能的变化。 在此过渡区下方,固体之间的反应占上风,其中机械效应降低了活化能。 在其上方,一部分能量用于诱导共晶,明显的激活能量更高。 DFT计算显示出类似于实验较高温度的反应屏障。 这项研究是第一个证明了机械能降低球铣削有机反应的激活屏障的影响。

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