Hydrogen-Induced Adsorption of Carbon Monoxide on the Gold Dimer Cation: A Joint Experimental and DFT Investigation

Marin Vojkovic (1) , Driss Rayane (1) , Rodolphe Antoine (1) , Michel Broyer (1) , Abdul-Rahman Allouche (1) , Pierre Mignon (1) , Philippe Dugourd (1)

1 ILM - Institut Lumière Matière [Villeurbanne]

It is demonstrated, using tandem mass spectrometry and radio-frequency ion-trap, that the adsorption of a H atom on the gold dimer cation, Au2H + , prevents the dissociation of gold dimer cation and allows for adsorption of CO. Reaction kinetics are measured by employing a radio-frequency ion trap, where Au2 + and CO interact for a given reaction time. The effect of a hydrogen atom is evaluated by comparing reaction rate constants measured for Au2 + and Au2H +. The theoretical results for adsorption of CO molecules and their reaction characteristics with Au2 + and Au2H + are found to agree with the experimental findings. The joint investigations provide insights into hydrogen atom adsorption effects and consequent reaction mechanisms.

Domaines: Chimie-Physique [physics.chem-ph]

Marin Vojkovic, Driss Rayane, Rodolphe Antoine, Michel Broyer, Abdul-Rahman Allouche, et al.. Hydrogen-Induced Adsorption of Carbon Monoxide on the Gold Dimer Cation: A Joint Experimental and DFT Investigation. Journal of Physical Chemistry A, 2017, 121 (23), pp.4404 - 4411. ⟨10.1021/acs.jpca.7b01564⟩. ⟨hal-01673953⟩