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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Principal Energy Transfer Pathways in the Collision of N_2O(00~01) with Toluene-d_8. A(WKB) Semiclassical Study
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Principal Energy Transfer Pathways in the Collision of N_2O(00~01) with Toluene-d_8. A(WKB) Semiclassical Study

机译:N_2O(00〜01)与甲苯-d_8碰撞时的主要能量传递途径。 A(WKB)半经典研究

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摘要

Vibrational energy transfer from N_2O(00~01) to deuterated toluene has been studied by use of the Wentzel-Kramers-Brillouin (WKB) semiclassical procedure in the distorted-wave approximation in the temperature range of 100-500 K. Energy transfer to the CD stretch modes (#upsilon#_a" and #upsilon#_a') on the methyl group of C_6D_5CD_3 is shown to be the principal pathway occurring through long-range interactions. The energy transfer to the CD stretch modes (#upsilon#_7, #upsilon#_(20), and #upsilon#_2) on the benzene ring are found to be of minor importance in removing vibrational energy from N_2O(00~01). Energy transfer to these ring modes is shown to occur through shortrange interactions where the energy mismatch is supplied by the translational motion. In all cases, energy transfer probabilities decrease with increasing temperature.
机译:已通过Wentzel-Kramers-Brillouin(WKB)半经典程序在100-500 K的温度范围内的扭曲波近似中研究了从N_2O(00〜01)到氘代甲苯的振动能量转移。 C_6D_5CD_3的甲基上的CD拉伸模式(#upsilon#_a“和#upsilon#_a')是通过长程相互作用发生的主要途径。能量转移到CD拉伸模式(#upsilon#_7,发现苯环上的#upsilon #_(20)和#upsilon#_2)对除去N_2O(00〜01)的振动能次要作用很小,表明通过短程相互作用将能量转移至这些环模在所有情况下,能量转移的概率都随着温度的升高而降低。

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