Exploring the Geometric Space of Metal-Organic Polyhedrons (MOPs) of Metal-Oxo Clusters.

ABSTRACT: Metal organic polyhedra (MOPs) such as coordination cages and clusters are increasingly utilized across many fields, but their geometrically selective assembly during synthesis is nontrivial. When ligand coordination along these polyhedral edges is arranged in an unsymmetrical mode or the bridging ligand itself is nonsymmetric, a vast combinatorial space of potential isomers exists complicating formation and isolation. Here we describe two generalizable combinatorial methodologies to explore the geometrical space and enumerate the configurational isomers of MOPs with discrimination of the chiral and achiral structures. The methodology has been applied to the case of the octahedron {Bi₆Fe₁₃L₁₂} which has unsymmetrical coordination of a carboxylate ligand (L)

SUBMITTER: Kandasamy B 

PROVIDER: S-EPMC8493551 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature