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Guest‐Dependent Isomer Convergence of a Permanently Fluxional Coordination Cage by André P. Birvé; Harshal D. Patel; Jason R. Price; Witold M. Bloch; Thomas Fallon is a Chemistry article available to read on EtoBox.

What is Guest‐Dependent Isomer Convergence of a Permanently Fluxional Coordination Cage about?

## Abstract A fluxional bis‐monodentate ligand, based on the archetypal shape‐shifting molecule bullvalene, self‐assembles with M^2+^ (M=Pd^2+^ or Pt^2+^) to produce a highly complex ensemble of permanently fluxional coordination cages. Metal‐mediated self‐assembly selects for an M~2~L~4~ architecture while maintaining shape‐shifting ligand complexity. A second level of simplification is achieved with guest‐exchange; the binding of halides within the M~2~L~4~ cage mixture results in a convergence to a cage species with all four ligands present as the “B isomer”. Within this confine, the reaction graph of the bullvalene is greatly restricted, but gives rise to a mixture of 38 possible diastereoisomers in rapid exchange. X‐ray crystallography reveals a preference for an achiral form consisting of both ligand enantiomers. Through a combination of NMR spectroscopy and DFT calculations, we elucidate the restricted isomerisation pathway of the permanently fluxional M~2~L~4~ assembly.

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Author

André P. Birvé; Harshal D. Patel; Jason R. Price; Witold M. Bloch; Thomas Fallon

Publisher

Wiley

Published

2022

Language

EN

Field

Chemistry (Physical Sciences)