CO-promoted N(2) adsorption on copper atoms

Area of Science:

• Inorganic Chemistry
• Spectroscopy
• Computational Chemistry

Background:

• Investigating reactions of laser-ablated copper atoms with small molecules is crucial for understanding catalytic processes.
• Matrix-isolation infrared spectroscopy is a powerful technique for characterizing unstable reaction intermediates.

Purpose of the Study:

• To investigate the reactions of copper atoms with carbon monoxide and dinitrogen in an argon matrix.
• To characterize novel carbonylcopper dinitrogen complexes and understand cooperative adsorption effects.

Main Methods:

• Matrix-isolation infrared spectroscopy was employed to study the reaction products.
• Density functional theory (DFT) calculations were used to determine structures, frequencies, and isotopic shifts.
• Isotopic substitution and reagent concentration changes aided in characterizing the complexes.

Main Results:

• Formation of NNCuCO and (NN)2CuCO complexes, alongside copper carbonyls, was observed.
• No simple copper dinitrogen complexes were detected.
• Experimental and theoretical results confirmed the formation and characterization of carbonylcopper dinitrogen complexes.
• Preadsorbed CO was found to promote N2 adsorption on copper atoms.

Conclusions:

• CO and N2 exhibit cooperative adsorption effects on copper atoms.
• The study elucidates reaction mechanisms involving coadsorbed CO and N2 on copper.
• Novel carbonylcopper dinitrogen complexes provide insights into metal-ligand interactions.