Experimental and theoretical study on electronic structure of toluene by electron momentum spectroscopy
Abstract The binding energy spectra and electron momentum distributions (EMDs) of valence orbitals in toluene molecule were measured by (e, 2e) electron momentum spectrometer. A comprehensive analysis of molecular vibrational effects on the EMDs was conducted through harmonic analytical quantum mechanical approach calculations and molecular dynamics simulations within the plane wave impulse approximation (PWIA). Furthermore, the multicenter three-distorted-wave method was employed to investigate the validity of the PWIA. A comparison between experimental measurements and theoretical predictions demonstrates that molecular vibrations have negligible effects on the EMDs, whereas the distorted-wave effects are obvious, particularly in large momentum regions.
Authors
- Enliang 恩亮 Wang 王 (ORCID: https://orcid.org/0000-0002-5703-6501)
- Xu 旭 Shan 单 (ORCID: https://orcid.org/0000-0001-5432-1289)
- Maomao 毛毛 Gong 宫 (ORCID: https://orcid.org/0000-0001-6778-2025)
- Xiangjun Chen (ORCID: https://orcid.org/0000-0002-4354-9330)
- Guangqing 广庆 Chen 陈 (ORCID: https://orcid.org/0000-0001-8381-1092)
- Tuo 拓 Liu 刘 (ORCID: https://orcid.org/0000-0002-5223-3258)
- Yuting 雨亭 Zhang 张 (ORCID: https://orcid.org/0000-0002-7459-3721)
- Chenghong 成宏 Zou 邹
- Song-Bin 松斌 Zhang 张 (ORCID: https://orcid.org/0000-0002-0323-7076)
- Chunkai 春凯 Xu 徐 (ORCID: https://orcid.org/0000-0002-5978-1644)
Institutions
- University of Science and Technology of China (CN)
- Hefei National Center for Physical Sciences at Nanoscale (CN)
- Shaanxi Normal University (CN)
Publication Details
- Journal
- Chinese Physics B
- Published
- 2025-05-27
- DOI
- https://doi.org/10.1088/1674-1056/addce8
- Primary Topic
- Electron and X-Ray Spectroscopy Techniques
- Type
- article
- Field-Weighted Citation Impact
- 0.00