Identification of valence electronic states of aqueous acetic acid in acid-base equilibrium using site-selective X-ray emission spectroscopy
Identification of valence electronic states of aqueous acetic acid in acid-base equilibrium using site-selective X-ray emission spectroscopy
复制标题
DOI：
10.1039/b910039c
复制
发表时间：
2009-01-01
影响因子：
3.3
通讯作者：
Shin, Shik
中科院分区：
文献类型：
--
作者：
Horikawa, Yuka;Tokushima, Takashi;Shin, Shik
利用共振X射线发射光谱（XES）结合基于密度泛函理论（DFT）的计算，首次确定了乙酸水溶液中性和阴离子形式的价电子结构及其pH依赖性.
Occupied valence electronic structures in the neutral and the anionic forms of aqueous acetic acid and their pH dependence under ambient condition are identified for the first time exploiting the site-selectivity of resonant X-ray emission spectroscopy (XES) in combination with calculation based on density functional theory (DFT).