单硫单氟（SF）的阈值光电子能谱。

IF 2.3 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemphyschem Pub Date : 2025-05-20 DOI:10.1002/cphc.202500211

Ugo Jacovella, Bérenger Gans, Myriam Drissi, Hai L Le, Mengxu Jiang, Séverine Boyé-Péronne, Gustavo A Garcia, Jean-Christophe Loison

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引用次数: 0

摘要

本研究采用真空紫外同步辐射阈值光电子能谱法（TPES）对单氟化硫（SF）的光谱常数和基本能量进行了细化。实现了高精度绝热电离能（AIE）的测量，这可以作为未来计算SF及其电离形式SF+的焓生成能的基准。实验方法包括微波放电反应器和基于同步加速器的光谱，提供了SF的TPES和光子产额光谱。从头算支持的分析能够确定关键的光谱参数，包括振动常数和电离阈值。所得AIE值为10.195(5)eV，是迄今为止最精确的数值，提高了热化学数据库的可靠性。

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Threshold Photoelectron Spectroscopy of Monosulfur Monofluoride.

The study employs threshold photoelectron spectroscopy (TPES) using vacuum ultraviolet synchrotron radiation to refine spectroscopic constants and fundamental energies of monosulfur monofluoride (SF). High-precision adiabatic ionization energy (AIE) measurements are achieved that could serve as benchmarks for future calculation of heat of formation of SF and its ionized form, SF⁺. Experimental methods utilized include a microwave discharge reactor coupled with synchrotron-based spectroscopy, providing TPES and photoion yield spectra of SF. Analysis supported by ab initio calculations enables the determination of key spectroscopic parameters, including vibrational constants and ionization thresholds. The resulting AIE of 10.195(5) eV is the most accurate value to date, enhancing the reliability of thermochemical databases.

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来源期刊

Chemphyschem 化学-物理：原子、分子和化学物理

CiteScore

4.60

自引率

3.40%

发文量

425

审稿时长

1.1 months

期刊介绍： ChemPhysChem is one of the leading chemistry/physics interdisciplinary journals (ISI Impact Factor 2018: 3.077) for physical chemistry and chemical physics. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. ChemPhysChem is an international source for important primary and critical secondary information across the whole field of physical chemistry and chemical physics. It integrates this wide and flourishing field ranging from Solid State and Soft-Matter Research, Electro- and Photochemistry, Femtochemistry and Nanotechnology, Complex Systems, Single-Molecule Research, Clusters and Colloids, Catalysis and Surface Science, Biophysics and Physical Biochemistry, Atmospheric and Environmental Chemistry, and many more topics. ChemPhysChem is peer-reviewed.