The interatomic bond between Cd and noble gas atoms: The nature of the intermolecular forces, the stability of the adducts, their spectroscopic and thermodynamical properties

This study provides fundamental features of weakly bonded adducts arising from the interaction of the Cd and Ng (noble gas) closed-shell partners. We determined the potential energy curves, spectroscopic constants, lifetimes, and thermodynamic properties for the entire family of Cd-Ng systems. The obtained results for equilibrium distances, dissociation energies, and spectroscopic constants show excellent agreement with experimental data, demonstrating the accuracy of the chosen methodologies. It was also observed that the dispersion term is the dominant contributor to the formation of the Ng-Cd adducts. Moreover, the lifetime analysis indicates that these adducts remain stable between 200 and 500 K once formed. This study also reveals that the Ne-Cd and Kr-Cd systems exhibit an inverted vibrational population distribution, suggesting that these adducts may be relevant for applications such as laser development. This work represents an important step in characterizing the weak interactions that govern matter’s static and dynamic properties.