| 气相水二聚体自由基阳离子结构的质谱研究 |
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| 引用本文： | 李可,范丽晶,米东伯,高校飞,陈焕文. 气相水二聚体自由基阳离子结构的质谱研究[J]. 质谱学报, 2021, 42(6): 1139-1144. DOI: 10.7538/zpxb.2020.0100 |
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| 作者姓名： | 李可 范丽晶 米东伯 高校飞 陈焕文 |
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| 作者单位： | 东华理工大学，江西省质谱科学与仪器重点实验室，江西 南昌330013 |
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| 摘 要： | 水是最重要的化合物之一，在各领域发挥着重要作用。本文在常温常压下在线制备了水二聚体自由基阳离子(H2O)2+·，通过碰撞诱导解离（CID）实验，结合同位素标记法对(H2O)2+·结构进行了研究。结果表明，(H2O)2+·(m/z 36)会竞争性丢失OH·和H2O，得到m/z 19(H2OH+)和m/z 18 (H2O+·)，揭示(H2O)2+·(m/z 36)可能以两种不同结构存在，即H结合的非对称结构［H2OH+—·OH］(A)和O—O结合的对称结构［H2O∴OH2］+(B)。此外，使用氘化水(D2O)和富含18O的水(H218O)进行了同位素标记实验。(D2O)2+·(m/z 40)，(H2O·D2O)+· (m/z 38)和(H2O·H218O)+·(m/z 38)的碰撞诱导解离结果同样佐证了水二聚体自由基阳离子存在两种不同结构。这将有助于阐明与(H2O)2+·有关的生物过程和化学反应。
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| 关 键 词： | 水二聚体自由基阳离子 H结合的结构 O结合的结构 常压质谱 同位素标记 |
Study on the Gas-phase Structure of Water Dimer Radical Cation Using Mass Spectrometry |
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| LI Ke,FAN Li-jing,MI Dong-bo,GAO Xiao-fei,CHEN Huan-wen. Study on the Gas-phase Structure of Water Dimer Radical Cation Using Mass Spectrometry[J]. Journal of Chinese Mass Spectrometry Society, 2021, 42(6): 1139-1144. DOI: 10.7538/zpxb.2020.0100 |
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| Authors: | LI Ke FAN Li-jing MI Dong-bo GAO Xiao-fei CHEN Huan-wen |
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| Affiliation: | Jiangxi Key Laboratory for Mass Spectrometry and Instrumentation, East China University of Technology, Nanchang 330013, China |
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| Abstract: | Water is one of the most important compounds and plays an important role in biological process, chemical synthesis and material science. Thus, studies about water and related particles water radical cations are always the top research fields. In this work, water dimer radical cation (H2O)2+· was prepared using home-made low energy corona discharge device at ambient condition, and its structure was further studied using collision induced dissociation (CID) experiment and isotope labelling method. The dissociation results showed that (H2O)2+· (m/z 36) will lose OH· and H2O to give ions of m/z 19 (H2OH+) and m/z 18 (H2O+·), competitively, revealing that (H2O)2+· can exist in two different structures, including ［H2OH+—·OH］ (hydrogen atom bound structure (A)) and ［H2O∴OH2］+ (oxygen-oxygen atom bound structure (B)). Structure A is asymmetry and structure B is symmetry. Furthermore, isotopic labeled experiments were conducted using deuterated water (D2O) and 18O-enriched water (H218O). The dissociation of (D2O)2+· (m/z 40) gave the corresponding protonated water D2OD+ (m/z 22) and water radical cation (D2O)+· (m/z 20). Dissociation of (H2O·D2O)+· (m/z 38) produced the protonated water H2OD+ (m/z 20)/D2OH+ (m/z 21), and water radical cation H2O+· (m/z 18), HOD+· (m/z 19), D2O (m/z 20)+·. In 18O-enriched water (H218O) labelled isotopic experiments, (H2O·H218O)+· (m/z 38) also was dissociated into its corresponding protonated water H2OH+ (m/z 19)/H218OH+ (m/z 21) and water radical cation H2O+· (m/z 18) and H218O+· (m/z 18). The CID and the isotope labelling results indicated that water dimer radical cation (D2O)2+·, (H2O·D2O)+· and (H2O· H218O)+·also exist A and B two structured forms. In conclusion, two structures of water dimer radical cation (H2O)2+· will further reveal that mass spectrometry may help to elucidate chemical mechanism related with (H2O)2+· in the biological processes and chemical reactions. |
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| Keywords: | water dimer radical cation hydrogen bound structure oxygen-oxygen bound structure mass spectrometry isotope labelling |
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