Bridging Electrochemistry and Photoelectron Spectroscopy in the Context of Birch Reduction: Detachment Energies and Redox Potentials of Electron, Dielectron, and Benzene Radical Anion in Liquid Ammonia,Journal of the American Chemical Society

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Bridging Electrochemistry and Photoelectron Spectroscopy in the Context of Birch Reduction: Detachment Energies and Redox Potentials of Electron, Dielectron, and Benzene Radical Anion in Liquid Ammonia
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2022-11-28 , DOI: 10.1021/jacs.2c09478
Tatiana Nemirovich ₁ , Vojtech Kostal ₁ , Jakub Copko ₁ , H Christian Schewe ₁ , Soňa Boháčová ₁ , Tomas Martinek ₁ , Tomas Slanina ₁ , Pavel Jungwirth ₁

Affiliation

Birch reduction is a time-proven way to hydrogenate aromatic hydrocarbons (such as benzene), which relies on the reducing power of electrons released from alkali metals into liquid ammonia. We have succeeded to characterize the key intermediates of the Birch reduction process─the solvated electron and dielectron and the benzene radical anion─using cyclic voltammetry and photoelectron spectroscopy, aided by electronic structure calculations. In this way, we not only quantify the electron binding energies of these species, which are decisive for the mechanism of the reaction, but also use Birch reduction as a case study to directly connect the two seemingly unrelated experimental techniques.

中文翻译：

在桦木还原的背景下桥接电化学和光电子能谱：液氨中电子、双电子和苯自由基阴离子的分离能和氧化还原电位

Birch 还原是一种经过时间验证的氢化芳烃（如苯）的方法，它依赖于从碱金属释放到液氨中的电子的还原能力。在电子结构计算的帮助下，我们使用循环伏安法和光电子能谱成功地表征了 Birch 还原过程的关键中间体——溶剂化电子和双电子以及苯自由基阴离子。通过这种方式，我们不仅量化了这些物种的电子结合能，这对反应机制具有决定性作用，而且还以 Birch 还原作为案例研究，将这两种看似无关的实验技术直接联系起来。

更新日期：2022-11-28

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