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Unveiling the local structure of palladium loaded into imine‐linked layered covalent organic frameworks for cross‐coupling catalysis

DOI: 10.1002/anie.v59.31 DOI Help

Authors: Ignacio Romero-Muniz (Universidad Autonoma de Madrid) , Andreas Mavrandonakis (IMDEA Energy) , Pablo Albacete (Universidad Autónoma de Madrid) , Alicia Vega (Universidad Autónoma de Madrid) , Valérie Briois (Synchrotron SOLEIL) , Félix Zamora (Universidad Autónoma de Madrid) , Ana E. Platero-Prats (Universidad Autónoma de Madrid)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Angewandte Chemie International Edition , VOL 59 , PAGES 13013 - 13020

State: Published (Approved)
Published: July 2020
Diamond Proposal Number(s): 22812

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

Journal Keywords: cross-coupling catalysis; DFT modeling; layered covalent organic frameworks; pair distribution function

Subject Areas: Chemistry, Materials

Instruments: I15-1-X-ray Pair Distribution Function (XPDF)

Other Facilities: SOLEIL

Added On: 20/04/2021 13:40

Discipline Tags:

Physical Chemistry Catalysis Chemistry Materials Science Organic Chemistry

Technical Tags:

Scattering Pair Distribution Function (PDF)