Matrix Isolation Infrared Spectroscopic and Density Functional Theory Studies on the Reactions of Dysprosium Hydride with Carbon Monoxide

Laser-ablated dysprosium hydride has been co-deposited at 4 K with carbon monoxide in excess argon. Product HDyCO has been formed in the present experiments and characterized using infrared spectroscopy on the basis of the results of the isotopic shifts, mixed isotopic splitting patterns, stepwise annealing, and the comparison with theoretical predictions. Density functional theory calculations have been performed. The agreement between the experimental and calculated vibrational frequencies, and isotopic shifts supports the identification of the molecule from the matrix infrared spectra. A plausible reaction mechanism has been proposed to account for the formation of this molecule.