Access of Adamantane-Type Organotin(IV) Heterochalcogenide Clusters

Sn NMR studies on corresponding reaction mixtures with different ratios of the starting materials, in combination with sophisticated quantum chemical calculations of the chemical shifts, unambiguously confirm that all statistically possible clusters form in solution. Isolation of selected species in single-crystalline form also indicates the existence of ternary cluster cores with a narrow dispersion of species around the given E:E' ratios. Our results represent an important step toward fine-tuning of metal chalcogenide cluster-based materials.