Topological prediction of palladium coordination cages
David A. Poole, Eduard O. Bobylev, Simon Mathew, Joost N. H. Reek
Abstract
A molecular mechanics approach enables the accurate prediction of polyhedral topology for homoleptic and heteroleptic palladium M<sub>x</sub>L<sub>2x</sub> coordination cages, allowing for new insight and design when considering endo- and exo-hedral functionalization.
Topics & Concepts
HomolepticPalladiumTopology (electrical circuits)Surface modificationMaterials scienceNanotechnologyChemistryMathematicsCatalysisCombinatoricsOrganic chemistryMetallurgyPhysical chemistryMetalSupramolecular Chemistry and ComplexesMetal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexes