| Autor: |
Elizabeth J. Johnson, Francois Gygi, Kay T. Xia, Daniel G. Nocera, David Gygi, Yu-Sheng Chen, Seung Jun Hwang, Yangzhong Qin, Miguel I. Gonzalez |
| Rok vydání: |
2021 |
| Předmět: |
|
| Zdroj: |
Journal of the American Chemical Society. 143(16) |
| ISSN: |
1520-5126 |
| Popis: |
The activation of C-H bonds requires the generation of extremely reactive species, which hinders the study of this reaction and its key intermediates. To overcome this challenge, we synthesized an iron(III) chloride-pyridinediimine complex that generates a chlorine radical proximate to reactive C-H bonds upon irradiation with light. Transient spectroscopy confirms the formation of a Cl·|arene complex, which then activates C-H bonds on the PDI ligand to yield HCl and a carbon-centered radical as determined by photocrystallography. First-principles molecular dynamics-density functional theory calculations reveal the trajectory for the formation of a Cl·|arene intermediate. Together, these experimental and computational results show the complete reaction profile for the preferential activation of a C-H bond in the solid state. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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