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-pyridyl donor groups at the Pd2+ ions.
Orientational self-sorting in cuboctahedral Pd cages / Li, R. -J.; Tarzia, A.; Posligua, V.; Jelfs, K. E.; Sanchez, N.; Marcus, A.; Baksi, A.; Clever, G. H.; Fadaei-Tirani, F.; Severin, K.. - In: CHEMICAL SCIENCE. - ISSN 2041-6520. - 13:40(2022), pp. 11912-11917. [10.1039/d2sc03856k]
Orientational self-sorting in cuboctahedral Pd cages
Tarzia A.;
2022
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-pyridyl donor groups at the Pd2+ ions.File | Dimensione | Formato | |
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https://hdl.handle.net/11583/2981639