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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Two-channel dissociation of chemically and thermally activated n-butylbenzene cations (C10H14+)
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Two-channel dissociation of chemically and thermally activated n-butylbenzene cations (C10H14+)

机译：化学和热活化的正丁基苯阳离子（C10H14 +）的两通道解离

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摘要

The charge-transfer reaction O-2(+) + n-butylbenzene (C10H14) -> O-2 + C10H14+* was studied in a turbulent ion flow tube at temperatures between 423 and 548 K and pressures between 15 and 250 Torr in the buffer gases He and N-2. Under chemical activation conditions stabilization vs dissociation ratios S/D of vibrationally highly excited C10H14+* as well as branching ratios of the fragments C7H7+ (m/z = 91) vs C7H8 + (m/z = 92) of the dissociation of C10H14+* were measured. Under thermal activation conditions, the rate constant of the dominating dissociation channel 92 was measured at 498 and 523 K. Employing information on the specific rate constants k(E) of the two channels 91 and 92 and on collisional energy transfer rates from the literature, the measured S/D curves and branching ratios 91/92 could be modeled well. It is demonstrated that the charge transfer occurs approximately equally through resonant transfer and complex-forming transfer. The thermal dissociation experiments provide a high precision value of the energy barrier for the channel 92, being 1.14 (+/- 0.02) eV.
机译：在湍流离子流管中，在温度为423至548 K，压力为15至250 Torr的条件下，研究了电荷转移反应O-2（+）+正丁基苯（C10H14）→O-2 + C10H14 + *缓冲气体He和N-2。在化学活化条件下，振动高度激发的C10H14 + *的稳定性与解离比S / D以及C10H14 + *的解离的C7H7 +片段的支化比（m / z = 91）与C7H8 +（m / z = 92）测量。在热活化条件下，主解离通道92的速率常数在498和523 K处测量。利用文献中有关两个通道91和92的比速率常数k（E）以及碰撞能量转移速率的信息，可以很好地模拟测得的S / D曲线和支化比91/92。证明了电荷转移通过共振转移和复合物形成转移大致相等地发生。热解离实验为通道92提供了1.14（+/- 0.02）eV的能垒的高精度值。

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