Orientational self-sorting in cuboctahedral Pd cages.

ABSTRACT: Cuboctahedral coordination cages of the general formula [Pd₁₂L₂₄]²⁴⁺ (L = low-symmetry ligand) were analyzed theoretically and experimentally. With 350 696 potential isomers, the structural space of these assemblies is vast. Orientational self-sorting refers to the preferential formation of particular isomers within the pool of potential structures. Geometric and computational analyses predict the preferred formation of cages with a cis arrangement at the metal centers. This prediction was corroborated experimentally by synthesizing a [Pd₁₂L₂₄]²⁴⁺ cage with a bridging 3-(4-(pyridin-4-yl)phenyl)pyridine ligand. A crystallographic analysis of this assembly showed exclusive cis coordination of the 3- and the 4-pyr

SUBMITTER: Li RJ 

PROVIDER: S-EPMC9580501 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature