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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Proton Transfer Reactions between Methanol and Formic Acid Deposited on Free Ar-N Nanoparticles
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Proton Transfer Reactions between Methanol and Formic Acid Deposited on Free Ar-N Nanoparticles

机译：在游离Ar-n纳米粒子上沉积的甲醇和甲酸之间的质子转移反应

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摘要

We have sequentially picked up two astrochemically relevant Bronsted acids (methanol and formic acid) on the surface of argon nanoparticles acting as a cold support. Photoionization and electron ionization yield (HCOOH)(x)H+, (CH3OH)(x)H+, and mixed protonated clusters. Experiments with perdeuterated methanol CD3OD demonstrate notable proton transfer (PT) to formic acid acting as a proton acceptor in addition to the PT from formic acid which is, perhaps, a more intuitive one. We, therefore, for the first time observed reactions between two different complex molecules adsorbed individually on argon nanoparticles. The experimental results are compared with state-of-the-art quantum chemistry calculations, showing that both CH3OH center dot+ and HCOOH center dot+ radical cations resulting from ionization can act as efficient proton donors and neutral CH3OH and HCOOH as proton acceptors. According to the theoretical calculations, the C-H bond cleavage in the radical cation should be more favorable than the O-H bond cleavage. Both channels are observed and distinguished in the experiments with CD3OH and CH3OD. Our detailed mechanism of formation of the CH3O center dot and CH2OH center dot radicals contributes to understanding of astrochemistry in the protostellar medium.
机译：在作用为冷载体的氩纳米粒子的表面上，我们依次依次拾取了两种星式相关的布朗酸（甲醇和甲酸）。光离子化和电子电离产率（HCOOH）（X）H +，（CH 3 OH）（X）H +，混合质子化簇。丙二化甲醇CD30的实验表明，除了甲酸的Pt之外，还表明了作为质子受体的甲酸的显着质子转移（Pt），也许是一种更直观的甲酸。因此，我们首次观察到在氩纳米颗粒上单独吸附的两种不同的复合物分子之间的反应。将实验结果与最先进的量子化学计算进行比较，表明由电离产生的CH3OH中心点+和HCOOH中心点+自由基阳离子可以用作高效的质子供体和中性CH 3 OH和HCOOH作为质子受体。根据理论计算，自由基阳离子中的C-H键切割应比O-H键切割更有利。在用CD3OH和CH3OD的实验中观察并区分这两个通道。我们的CH3O中心点和CH2OH中心点基团形成的详细机制有助于了解原料介质中的星体化学。

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