Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub>cage: inverse guest size-dependent compression and mesocate isomerism
Witold M. Bloch, Shinnosuke Horiuchi, Julian J. Holstein, Christoph Drechsler, Axel Wuttke, Wolf Hiller, Ricardo A. Mata, Guido H. Clever
Abstract
) by virtue of a pronounced oblate/prolate cavity expansion, whereby the Pd-Pd separation decreases for mono-anionic guests of increasing size. Electronic structure calculations point toward strong dispersion forces contributing to these host-guest interactions. In the absence of a suitable guest, the helical cage exists in equilibrium with a well-defined mesocate isomer that possesses a distinct cavity environment afforded by a doubled Pd-Pd separation distance.
Topics & Concepts
CrystallographySupramolecular chemistryIsothermal titration calorimetryChemistryHelicityNuclear magnetic resonance spectroscopyIonChemical physicsMolecular physicsCrystal structureStereochemistryPhysicsPhysical chemistryOrganic chemistryParticle physicsSupramolecular Chemistry and ComplexesMagnetism in coordination complexesAdvanced NMR Techniques and Applications