论文标题
rix揭示了隐藏的局部过渡OH激进分子
RIXS Reveals Hidden Local Transitions of the Aqueous OH Radical
论文作者
论文摘要
共振非弹性X射线散射（RIX）为质疑液体中的超快动态提供了极大的机会。在这里，我们使用rix在液态水中从根本和实际上重要的羟基研究，俄亥俄州（aq）。纯净液体水的冲动电离产生了短寿命的OH（AQ），它是使用X射线自由电子激光器的飞秒X射线探测的。我们发现RIX揭示了通过强电荷转移转换在紫外吸收光谱中掩盖的局部电子跃迁，从而提供了一种方法来研究水和异构环境中羟基自由基的不断发展的电子结构和反应性。第一原理计算提供了主要光谱特征的解释。
Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate ultrafast dynamics in liquids. Here we use RIXS to study the fundamentally and practically important hydroxyl radical in liquid water, OH(aq). Impulsive ionization of pure liquid water produced a short-lived population of OH(aq), which was probed using femtosecond x-rays from an x-ray free-electron laser. We find that RIXS reveals localized electronic transitions that are masked in the ultraviolet absorption spectrum by strong charge-transfer transitions -- thus providing a means to investigate the evolving electronic structure and reactivity of the hydroxyl radical in aqueous and heterogeneous environments. First-principles calculations provide interpretation of the main spectral features.
