Encapsulation of a Metal Complex within a Self-Assembled Nanocage: Synergy Effects, Molecular Structures, and Density Functional Theory Calculations

摘要: A novel palladium-based metallacage was self-assembled. This nanocage displayed two complementary effects that operate in synergy for guest encapsulation. Indeed, a metal complex, [Pt(NO2)4]2–, hosted inside the cavity, as demonstrated by solution NMR studies. Single-crystal X-ray diffraction shows adopts different orientations, depending on nature of host–guest interactions involved. density functional theory computational study is included to rationalize this type interaction. These studies pave way better comprehension chemical interaction and transformation within confined nanospaces.