Identification of a Heteroleptic Pd6L6L′6Coordination Cage by Screening of a Virtual Combinatorial Library

Autor: Sudan, Sylvain, Li, Ru-Jin, Jansze, Suzanne M., Platzek, André, Rudolf, Robin, Clever, Guido H., Fadaei-Tirani, Farzaneh, Scopelliti, Rosario, Severin, Kay
Zdroj: Journal of the American Chemical Society; February 2021, Vol. 143 Issue: 4 p1773-1778, 6p
Abstrakt: The design of structurally defined heteroleptic coordination cages is a challenging task, and only few examples are known to date. Here we describe a selection approach that allowed the identification of a novel hexanuclear Pd cage containing two types of dipyridyl ligands. A virtual combinatorial library of [PdnL2n](BF4)2ncomplexes was prepared by mixing six different dipyridyl ligands with substoichiometric amounts of [Pd(CH3CN)4](BF4)2. Analysis of the equilibrated reaction mixture revealed the preferential formation of a heteroleptic [Pd6L6L′6](BF4)12assembly. The complex was prepared on a preparative scale by a targeted synthesis, and its structure was elucidated by single-crystal X-ray diffraction. It features an unprecedented trigonal-antiprismatic cage structure with two triangular Pd3L3macrocycles bridged by six L′ ligands. A related but significantly larger [Pd6L6L′6](BF4)12cage was obtained by using metalloligands instead of organic dipyridyl ligands.
Databáze: Supplemental Index