IR Spectroscopic Investigation on Isomerization of Ionized Ethylene Glycol,The Journal of Physical Chemistry A

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IR Spectroscopic Investigation on Isomerization of Ionized Ethylene Glycol
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2019-05-28 00:00:00 , DOI: 10.1021/acs.jpca.9b02591
Yoshiyuki Matsuda ₁ , Ayumu Matsuura ₁ , Takahiro Kamiyama ₁ , Asuka Fujii ₁

Affiliation

It has been known that photoionization of ethylene glycol generates protonated methanol when the ionization energy is in the vicinity of the vertical ionization energy. Although two different isomerization paths have been proposed for the protonated methanol production, the isomerization path has not yet been identified. To investigate the isomerization of ionized ethylene glycol, infrared (IR) predissociation spectroscopy based on vacuum ultraviolet photoionization is carried out for neutral and cationic ethylene glycol and partially deuterated isotopomer (HOCD₂CD₂OH). The IR spectroscopic results indicate that ionized ethylene glycol isomerizes to the protonated methanol–HCO complex, and the isomerization path involving the double proton transfer is identified. This isomerization path is also supported by the theoretical isomerization path search, which demonstrates that several reaction pathways are mutually intercommunicated.

中文翻译：

离子化乙二醇异构化的红外光谱研究

已知当电离能在垂直电离能附近时，乙二醇的电离会产生质子化的甲醇。尽管已经提出了用于质子化甲醇生产的两种不同的异构化路径，但是尚未确定异构化路径。为了研究电离的乙二醇的异构化，对中性和阳离子乙二醇以及部分氘代的同位素异构体（HOCD ₂ CD ₂）进行了基于真空紫外光电离的红外（IR）预离解光谱哦）。红外光谱结果表明，离子化的乙二醇异构化为质子化的甲醇-HCO络合物，并确定了涉及双质子转移的异构化路径。理论异构化路径搜索也支持该异构化路径，这表明几个反应路径是相互连通的。

更新日期：2019-05-28

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