Theoretical Insights into the Ir-Catalyzed C(sp <sup>2</sup> )–H Borylation Mechanism: Origin of Ligand-Controlled Regioselectivity and Identification of a Potentially Active Species
-selectivity. Collectively, these insights establish a coherent mechanistic framework that provides guidance for the rational design of transition-metal-catalyzed C-H functionalization reactions with improved regiocontrol and enhanced synthetic efficiency.
Authors
- Xin Li (ORCID: https://orcid.org/0000-0003-0670-3340)
- Chuanke Chong (ORCID: https://orcid.org/0000-0003-2938-2703)
- Dongju Zhang (ORCID: https://orcid.org/0000-0002-6117-4958)
- Hongliang Wang (ORCID: https://orcid.org/0000-0001-9629-1743)
Institutions
- Shandong University (CN)
- Interface (United States) (US)
- Shandong First Medical University (CN)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2026-04-17
- DOI
- https://doi.org/10.1021/acs.jpca.6c00881
- Primary Topic
- Catalytic C–H Functionalization Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- Natural Science Foundation of Shandong Province
- Shandong First Medical University