From Zn to Cd: Extending Halide-First Stabilization Strategies to Dimethylcadmium through Ion Pairs

Dimethyl cadmium (Cd(CH#)#) is an important molecular source for II-VI semiconductor growth; however, its extreme reactivity increases the hazards associated with transport and storage, motivating the development of safer, more stable derivative forms.Here, we computationally evaluate whether a halide-attachment stabilization strategy reported by Falkowski and co-workers (J.Phys.Chem.A, 2025) can be transferred to Cd(CH#)#.We examine the formation of ate species (CH#)#CdX# (X = F, Cl, I) and quantify how substitution of chloride versus iodide and fluoride modulates structure, bonding, and thermodynamic stability.