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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Infrared Spectra of Monohydrogenated Aniline, ortho- and para-HC6H5NH2, Generated in Solid para-Hydrogen
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Infrared Spectra of Monohydrogenated Aniline, ortho- and para-HC6H5NH2, Generated in Solid para-Hydrogen

机译：单氢化苯胺的红外光谱，邻 - 和副HC6H5N2，在固体对氢气中产生

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摘要

The isomers of monohydrogenated aniline (HC6H5NH2) are regarded as important intermediates in reduction reactions of aniline, but their spectral identification has been limited to electron paramagnetic resonance in an adamantane matrix. We report here infrared (IR) spectra of two least-energy isomers of HC6H5NH2, produced on electron bombardment during the deposition of a matrix of aniline and para-hydrogen at 3.2 K. The intensities of IR lines of HC6H5NH2 increased during maintenance of the electron-bombarded matrix in darkness for a prolonged period because of the neutralization of protonated aniline, H+C6H5NH2, by trapped electrons and further reactions between aniline and the unreacted hydrogen atoms that were produced during electron bombardment. The observed lines were grouped according to their behaviors on secondary photolysis with light at 520, 465, and 375 nm. On comparison of experimental spectra with quantum chemically predicted spectra for four possible isomers of HC6H5NH2, lines in one group were assigned to the most stable ortho-HC6H5NH2 and those in the other group were assigned to the second-most stable para-HC6H5NH2. Their photolytic behaviors at varied wavelengths are consistent with predicted ultraviolet absorption bands. The mechanisms of formation of these isomers are discussed according to semiquantitative analysis.
机译：monohydrogenated苯胺（HC6H5NH2）的异构体被认为是在苯胺的还原反应的重要中间体，但它们的光谱识别已不限于电子顺磁共振中的金刚烷矩阵。我们在这里报告HC6H5NH2的两个最低能量异构体，苯胺和仲氢的基体的3.2 K.在沉积过程中对电子轰击所产生的红外（IR）光谱的HC6H5NH2的IR线的强度维护电子的过程中增加在黑暗中-bombarded矩阵因为质子化苯胺，H + C6H5NH2，由俘获电子和苯胺和电子轰击期间产生的未反应的氢原子之间的进一步反应的中和的一个长时间。根据其在520处，465与光次级光解和375nm的行为所观察到的线进行分组。实验谱与量子用于HC6H5NH2的四个可能的异构体的化学预测的光谱的对比，在一组行被分配到最稳定的邻HC6H5NH2以及那些在其他组中被分配到第二最稳定的对位HC6H5NH2。其在改变波长光分解行为是与预测的紫外吸收带一致的。形成这些异构体的机制是根据半定量分析讨论。

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