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分子氧苯酮的价带光电子成像

Valence photoelectron imaging of molecular oxybenzone.

作者信息

Tsizin Svetlana, Ban Loren, Chasovskikh Egor, Yoder Bruce L, Signorell Ruth

机构信息

Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2., CH-8093 Zürich, Switzerland.

出版信息

Phys Chem Chem Phys. 2024 Jul 17;26(28):19236-19246. doi: 10.1039/d3cp06224d.

Abstract

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 × 10 W cm.

摘要

利用单光子和多光子电离方案,通过质谱和角分辨光电子能谱对气相中的氧苯酮分子进行了表征。使用带有单色仪的桌面高谐波产生源对氧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能和出现能,以及与能量相关的各向异性参数,并与密度泛函理论(DFT)计算结果进行了比较。对于使用4.7 eV光的双光子电离,我们发现其出现能高于极紫外(EUV)情况,这突出了中间态对光电离过程可能产生的影响。我们发现,当用17.2至35.7 eV的单光子电离氧苯酮时,质谱没有差异。然而,对于多光子电离,发现碎片化过程对光电离顺序和激光强度敏感。发现“最温和”的方法是使用4.7 eV光的双光子电离,在强度高达5×10 W/cm²时不会导致可测量的碎片化。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c4c/11253247/8c3a295d419c/d3cp06224d-f1.jpg

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