Decoupling Thermodynamic and Kinetic Controls in Methane Activation on High-Spin Rhenium Centers: The Interplay of Electronic Accumulation and Relativistic Spin–Orbit Coupling
) quenches effective SOC. These insights challenge the conventional view that neutral ligands diminish reactivity without spin-state changes, offering quantitative electronic descriptors for the design of condensed-phase catalysts via surface hydroxyl engineering or heavy-atom doping.
Authors
- Shaodong Zhou (ORCID: https://orcid.org/0000-0003-3048-4678)
- Cheng Guo (ORCID: https://orcid.org/0000-0001-6194-1232)
- Chao Qian (ORCID: https://orcid.org/0000-0002-2501-1596)
- Yuewen Feng
- Xinzhi Chen
Institutions
- Quzhou University (CN)
- Ministry of Education (ET)
- State Key Laboratory of Chemical Engineering (CN)
- Zhejiang University (CN)
Publication Details
- Journal
- The Journal of Physical Chemistry Letters
- Published
- 2026-05-01
- DOI
- https://doi.org/10.1021/acs.jpclett.6c00453
- Primary Topic
- CO2 Reduction Techniques and Catalysts
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Fonds der Chemischen Industrie
- Deutsche Forschungsgemeinschaft
- National Natural Science Foundation of China
- Key Research and Development Program of Zhejiang Province