Intramolecular electron-induced proton transfer and its correlation with excited-state intramolecular proton transfer
Intramolecular electron-induced proton transfer and its correlation with excited-state intramolecular proton transfer
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DOI：
10.1038/s41467-019-09154-5
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发表时间：
2019-03
影响因子：
16.6
通讯作者：
Wei Wang;Mary A Marshall;E. Collins;Sara Marquez;Chaonan Mu;K. Bowen;Xinxing Zhang
中科院分区：
文献类型：
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作者：
Wei Wang;Mary A Marshall;E. Collins;Sara Marquez;Chaonan Mu;K. Bowen;Xinxing Zhang
电子诱导质子转移描述了质子运动以及低能电子与分子的附着，这有助于理解大量的基本化学过程。分子内电子诱导质子转移是发生在单个分子内的类似过程。迄今为止，据我们所知，只有一种已知的分子内例子。通过使用阴离子光电子能谱和密度泛函理论研究10-羟基苯并[h]喹啉和8-羟基喹啉分子，并通过对其他六种分子的理论筛选，我们展示了一长串分子的分子内电子诱导质子转移能力，同时具有激发态分子内质子转移特性。仔细检查这些分子的固有电子特征表明，这两个不同的过程应该发生在同一类分子上。分子内电子诱导的质子转移可能具有潜在的应用，例如对电子或电流敏感的分子装置。
Electron-induced proton transfer depicts the proton motion coupled with the attachment of a low-energy electron to a molecule, which helps to understand copious fundamental chemical processes. Intramolecular electron-induced proton transfer is a similar process that occurs within a single molecule. To date, there is only one known intramolecular example, to the best of our knowledge. By studying the 10-hydroxybenzo[h]quinoline and 8-hydroxyquinoline molecules using anion photoelectron spectroscopy and density functional theory, and by theoretical screening of six other molecules, here we show the intramolecular electron-induced proton transfer capability of a long list of molecules that meanwhile have the excited-state intramolecular proton transfer property. Careful examination of the intrinsic electronic signatures of these molecules reveals that these two distinct processes should occur to the same category of molecules. Intramolecular electron-induced proton transfer could have potential applications such as molecular devices that are responsive to electrons or current.