Implementation of a Sonogashira-like Coupling Reaction in a Dual-Atom Alloy System

• Applicant: Dr. Dennis Meier
• Subject Area: Physical Chemistry of Solids and Surfaces, Material Characterisation
• Term: since 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 547243907

Catalytic processes play a pivotal role in 80% of consumer goods production, including carbon-carbon coupling reactions essential for synthesizing pharmaceuticals and fine chemicals. The limitations of traditional homogeneous catalysts in terms of cost and process efficiency have sparked interest in heterogeneous catalytic systems. Single-atom alloys (SAAs), featuring a more reactive guest metal in a less reactive host metal, offer promising solutions with well-defined active sites and efficient utilization of precious metal centers. This allows for precise predictions by density functional theory (DFT) and unique catalytic performance. However, their small size poses limitations, prompting the exploration of dual-atom alloys (DAAs), where two reactive metals are in a less reactive metal, to enable more complex reactions. The Sonogashira cross-coupling reaction, a vital C-C bond coupling process, traditionally utilizes Pd and Cu complexes in homogeneous catalysis. The proposed project aims to transition this process into heterogeneous catalysis using trimetallic surface active sites to enhance reactivity and selectivity. Employing a fundamental surface science approach in ultra-high vacuum, the synthesis of suitable DAA systems on the (111) surface of host metals such as Au, Ag, or Cu involves incorporating Pd for C-C bond formation and exploring suitable second metals like Ni or Rh for C-H bond activation. The reactivity and structure of the systems are analyzed by a multiple-techniques approach, including infrared spectroscopy, temperature programmed desorption and scanning tunneling microcopy. Collaborating with the Montemore group will expedite the screening of suitable metals through theoretical calculations, providing insights for fine-tuning and guiding the design of highly selective DAA catalysts, ensuring a comprehensive understanding of their structure and reactivity.

• DFG Programme: WBP Fellowship
• International Connection: USA
• Host: Professor Charles Sykes, Ph.D.