ArticleMolecules (Basel, Switzerland)2021
The Activating Effect of Strong Acid for Pd-Catalyzed Directed C-H Activation by Concerted Metalation-Deprotonation Mechanism.
Article in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
2 citing papers in PubMed, 8 citations in OpenAlex.
- Mechanistic insights into C(spJournal of molecular modeling · 2024Article
- The crucial role of silver(I)-salts as additives in C-H activation reactions: overall analysis of their versatility and applicability.Chemical Society reviews · 2023Review
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Authors and funding
2 authors at 2 institutions in 1 country.
Funding
Abstract
A computational study on the origin of the activating effect for Pd-catalyzed directed C-H activation by the concerted metalation-deprotonation (CMD) mechanism is conducted. DFT calculations indicate that strong acids can make Pd catalysts coordinate with directing groups (DGs) of the substrates more strongly and lower the C-H activation energy barrier. For the CMD mechanism, the electrophilicity of the Pd center and the basicity of the corresponding acid ligand for deprotonating the C-H bond are vital to the overall C-H activation energy barrier. Furthermore, this rule might disclose the role of some additives for C-H activation.
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