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Orientational Self-Sorting in Octahedral Palladium Cages: Scope and Limitations of the “<i>cis</i> Rule”

Jean de Montmollin, Atena B. Şolea, Damien W. Chen, Farzaneh Fadaei‐Tirani, Kay Severin

2024Inorganic Chemistry10 citationsDOIOpen Access PDF

Abstract

Octahedral coordination cages of the general formula [Pd 6 L 12 ](BF 4 ) 12 were obtained by combining [Pd(CH 3 CN) 4 ](BF 4 ) 2 with heteroditopic N-donor ligands. Four different ligands were employed. These ligands have 3-pyridyl donor groups at one end and 4-pyridyl, imidazolyl, or triazolyl donor groups at the other end. According to a geometric analysis, cages with a cis configuration at the six metal centers should be preferred (“ cis rule”). This prediction was corroborated by spectroscopic data and crystallographic analyses. Limitations of the “ cis rule” were also encountered, and possible explanations are discussed.

Topics & Concepts

ChemistryOctahedronPalladiumCrystallographyMetalStereochemistryCrystal structureOrganic chemistryCatalysisSupramolecular Chemistry and ComplexesMagnetism in coordination complexesMetal-Organic Frameworks: Synthesis and Applications