Super-resolution femtosecond electron diffraction reveals electronic and nuclear dynamics at conical intersections
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arXiv
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| Main Authors: | , , , , , , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866913959654719488 |
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| author | Jiang, Hui Zhang, Juanjuan Wang, Tianyu Peng, Jiawei Jin, Cheng Zou, Xiao Zhu, Pengfei Jiang, Tao Lan, Zhenggang Yong, Haiwang FengHe Xiang, Dao |
| author_facet | Jiang, Hui Zhang, Juanjuan Wang, Tianyu Peng, Jiawei Jin, Cheng Zou, Xiao Zhu, Pengfei Jiang, Tao Lan, Zhenggang Yong, Haiwang FengHe Xiang, Dao |
| contents | Conical intersections play a pivotal role in excited-state quantum dynamics. Capturing transient molecular structures near conical intersections remains challenging due to the rapid timescales and subtle structural changes involved. We overcome this by combining the enhanced temporal resolution of mega-electron-volt ultrafast electron diffraction with a super-resolution real-space inversion algorithm, enabling visualization of nuclear and electronic motions at conical intersections with sub-angstrom resolution, surpassing the diffraction limit. We apply this technique to the textbook example of the ring-opening reaction of 1,3-cyclohexadiene, which proceeds through two conical intersections within 100 femtoseconds. The super-resolved transient structures near conical intersections reveal a C-C bond length difference of less than 0.4 angstrom and an approximately 30-femtosecond traversal time of the nuclear wave packet between them. These findings establish super-resolution ultrafast scattering as a transformative tool for uncovering quantum dynamics in molecules and open new avenues for studying light-matter interactions at the most fundamental level. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2507_18948 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Super-resolution femtosecond electron diffraction reveals electronic and nuclear dynamics at conical intersections Jiang, Hui Zhang, Juanjuan Wang, Tianyu Peng, Jiawei Jin, Cheng Zou, Xiao Zhu, Pengfei Jiang, Tao Lan, Zhenggang Yong, Haiwang FengHe Xiang, Dao Chemical Physics Atomic and Molecular Clusters Instrumentation and Detectors Optics Conical intersections play a pivotal role in excited-state quantum dynamics. Capturing transient molecular structures near conical intersections remains challenging due to the rapid timescales and subtle structural changes involved. We overcome this by combining the enhanced temporal resolution of mega-electron-volt ultrafast electron diffraction with a super-resolution real-space inversion algorithm, enabling visualization of nuclear and electronic motions at conical intersections with sub-angstrom resolution, surpassing the diffraction limit. We apply this technique to the textbook example of the ring-opening reaction of 1,3-cyclohexadiene, which proceeds through two conical intersections within 100 femtoseconds. The super-resolved transient structures near conical intersections reveal a C-C bond length difference of less than 0.4 angstrom and an approximately 30-femtosecond traversal time of the nuclear wave packet between them. These findings establish super-resolution ultrafast scattering as a transformative tool for uncovering quantum dynamics in molecules and open new avenues for studying light-matter interactions at the most fundamental level. |
| title | Super-resolution femtosecond electron diffraction reveals electronic and nuclear dynamics at conical intersections |
| topic | Chemical Physics Atomic and Molecular Clusters Instrumentation and Detectors Optics |
| url | https://arxiv.org/abs/2507.18948 |