An Adaptive Palladium Single-Atom Catalyst Enabling Reactivity Switching between Borylation and C-C Coupling.

Area of Science:

• Catalysis
• Materials Science
• Synthetic Chemistry

Background:

• Developing single-atom catalysts (SACs) with controllable functionalities is crucial but challenging.
• Existing methods often lack precise control over catalytic pathways.

Purpose of the Study:

• To report a novel SAC with anisotropic coordination cavities for anchoring isolated palladium (Pd) single atoms.
• To demonstrate the catalyst's ability to switch between distinct catalytic outcomes and enable self-cascade processes.

Main Methods:

• One-step polymerization of 2,6-diaminopyridine and cyanuric chloride to create anisotropic cavities.
• Anchoring isolated Pd single atoms within the cavities.
• Mechanistic studies to elucidate the role of Pd atoms in catalytic steps.

Main Results:

• The synthesized SAC exhibited exceptional stability and tunable reactivity.
• The catalyst successfully controlled reaction pathways, enabling a switch between borylation and Suzuki coupling.
• Demonstrated a self-cascade process for complex transformations with minimized waste.

Conclusions:

• The novel SAC with anisotropic cavities offers precise control over catalytic pathways.
• This catalyst enables sustainable, complex multistep transformations via self-cascade processes.
• Highlights the potential of catalysis engineering for revolutionizing synthetic chemistry.