Unveiling the Local Structure of Palladium Loaded into Imine‐Linked Layered Covalent Organic Frameworks for Cross‐Coupling Catalysis

• DOI: 10.1002/ange.202004197
• Publication Date: 2020-04-25T10:56:00Z
• Authors: Ignacio Romero‐Muñiz; Andreas Mavrandon...; Pablo Albacete; Alicia Vega; Valérie Briois; Félix Zamora; Ana E. Platero‐Prats
• Keywords: Imine; Metalation; Covalent organic framework; Coupling reaction

Abstract Layered covalent organic frameworks (2D‐COFs), composed of reversible imine linkages and accessible pores, offer versatility for chemical modifications towards the development catalytic materials. Nitrogen‐enriched COFs are good candidates binding Pd species. Understanding local structure reacting sites bonded to COF pores is key rationalize interactions between active porous surfaces. By combining advanced synchrotron characterization methods with periodic computational DFT modeling, precise atomic attached defects resolved within an archetypical imine‐linked 2D‐COF. This material was synthesized using in situ method as a gel, under which hydrolysis metalation reactions coupled. Local formed 2D‐COF materials highly reactive metalation, resulting Suzuki–Miyaura cross‐coupling reactions.