分子羟苯甲酯的价态光电子成像。

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL Physical Chemistry Chemical Physics Pub Date : 2024-07-03 DOI:10.1039/d3cp06224d
Svetlana Tsizin, Loren Ban, Egor Chasovskikh, Bruce L Yoder, Ruth Signorell
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引用次数: 0

摘要

利用单光子和多光子电离方案,通过质谱法和角度分辨光电子能谱法对气相中的氧苯酮分子进行了表征。使用带有单色器的台式高次谐波发生源对羟苯酮进行单光子电离,光子能量高达 35.7 eV。由此获得了垂直电离和外观能量,以及随能量变化的各向异性参数,并与 DFT 计算结果进行了比较。对于使用 4.7 eV 光的双光子电离,我们发现其外观能高于极紫外(EUV)情况下的外观能,这凸显了中间状态对光离子化过程的可能影响。我们发现,在 17.2 至 35.7 eV 之间用单光子电离羟苯酮时,质谱没有差异。然而,在多光子电离中,我们发现碎裂过程对光离子化顺序和激光强度很敏感。最 "柔和 "的方法是使用 4.7 eV 光的双光子电离,这种方法在 5 × 1012 W cm-2 的强度下不会产生可测量的碎片。
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Valence photoelectron imaging of molecular oxybenzone.

An oxybenzone molecule in the gas phase was characterized by mass spectrometry and angle-resolved photoelectron spectroscopy, using both single and multiphoton ionization schemes. A tabletop high harmonic generation source with a monochromator was used for single-photon ionization of oxybenzone with photon energies of up to 35.7 eV. From this, vertical ionization and appearance energies, as well as energy-dependent anisotropy parameters were retrieved and compared with the results from DFT calculations. For two-photon ionization using 4.7 eV light, we found a higher appearance energy than in the extreme ultraviolet (EUV) case, highlighting the possible influence of an intermediate state on the photoionization process. We found no differences in the mass spectra when ionizing oxybenzone by single-photons between 17.2 and 35.7 eV. However, for the multiphoton ionization, the fragmentation process was found to be sensitive to the photoionization order and laser intensity. The "softest" method was found to be two-photon ionization using 4.7 eV light, which led to no measurable fragmentation up to an intensity of 5 × 1012 W cm-2.

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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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