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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Increase of the Charge Transfer Rate Coefficients for NO+ and O-2(+center dot) Reactions with Isoprene Molecules at Elevated Interaction Energies
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Increase of the Charge Transfer Rate Coefficients for NO+ and O-2(+center dot) Reactions with Isoprene Molecules at Elevated Interaction Energies

机译：在升高的相互作用能量下，在异戊二烯分子中增加NO +和O-2（+中心点）反应的电荷转移速率系数

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摘要

Atmospheric concentrations of isoprene (2-methylbutadiene) in environmental research and in exhaled breath for medical research are usually measured by soft chemical ionization mass spectrometry that relies on a knowledge of the kinetics of the gas phase reactions of H3O+, NO+ or O-2(+center dot) ions with isoprene molecules. Thus, we have carried out an experimental study of the rate coefficients, k, and product ions distributions for such reactions over a range of ion molecule interaction energy, Er, (0.05-0.8 eV) in a helium-buffered selected ion flow-drift tube, SIFDT. It is found that contrary to the ion-induced dipole capture model, k for the NO+ and O-2(+center dot) charge transfer reactions almost doubled over the Er range, while k for the H3O+ proton transfer reaction did not significantly change with E-r, as predicted. These results reveal that the reaction mechanism involving ion-molecule capture forming an intermediate complex does not properly describe charge transfer to isoprene molecules. It is important to account for this increase in k with E-r in these isoprene charge transfer reactions, and probably for other such reactions, when using drift tube reactors for trace gas analysis.
机译：环境研究中的异戊二烯（2-甲基丁二烯）的大气浓度通常通过软化学电离质谱法测量，依赖于H3O +，NO +或O-2的气相反应动力学知识（ +中心点）离子分子离子。因此，我们对氦气缓冲选定的离子流量漂移的一系列离子分子相互作用能量，ER（0.05-0.8eV）进行了对这种反应的速率系数，K和产物离散的实验研究管，sifdt。结果表明，与离子诱导的偶极捕获模型相反，对于NO +和O-2（+中心点）电荷转移反应的k几乎翻了一下，而K对于H3O +质子转移反应的K对于H3O +质子转移反应没有显着变化正如预期的那样。这些结果表明，涉及形成中间体复合物的离子分子捕获的反应机理不能适当地描述对异戊二烯分子的电荷转移。重要的是考虑在这些异戊二烯电荷转移反应中具有E-R的k的增加，并且当使用漂移管反应器进行痕量气体分析时可能用于其他此类反应。

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