CEQUINOR (CONICET-UNLP), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C.C. 962 (1900) La Plata, Argentina.
J Phys Chem A. 2010 Aug 12;114(31):8049-55. doi: 10.1021/jp102179w.
The simultaneous evaluation of the PES and valence synchrotron photoionization studies complemented by the results of quantum chemical calculations offers unusually detailed insights into the valence ionization processes of small covalent molecules. Thus, methyl thiochloroformate, ClC(O)SCH(3), has been investigated by using results from both photoelectron spectroscopy (PES) and synchrotron radiation in the valence energy range. In an additional series of experiments, total ion yield (TIY) and photoelectron-photoion coincidence (PEPICO) spectra have been recorded. Furthermore, the relative yields for ionic fragments have been determined as a function of the photon energy. Vibronic structure has been observed in the TIY spectrum recorded in the synchrotron experiments. The photodissociation behavior of ClC(O)SCH(3) can be divided into two well-defined energy regions.
同时评估 PES 和价同步辐射光电子能谱研究，辅以量子化学计算的结果，为小共价分子的价层电离过程提供了异常详细的见解。因此，采用光电发射光谱（PES）和价能范围内的同步辐射的结果对氯甲硫基甲酸酯，ClC（O）SCH（3）进行了研究。在另外一系列实验中，记录了总离子产率（TIY）和光电离-光电子符合（PEPICO）谱。此外，还确定了离子碎片的相对产率作为光子能量的函数。在同步实验中记录的 TIY 谱中观察到了振子结构。ClC（O）SCH（3）的光解行为可以分为两个明确的能量区域。
