The solution-phase self-assembly of a supramolecular cube comprising of nickel(II) cations and designer ligands (two bidentate pyrazoyl-pyridines separated by a naphthalene spacer) has been studied at various temperatures.The UVvis absorbance of a range of solutions with varying ratios of ligand and metal cation have been modeled via equilibrium-restricted factor analysis, leading to the identification of at least 7 distinct chemical species that exist in solution as well as the binding constants for the assembly steps. Many of sub-structures, as well as the cube itself, have also been identified via mass spectrometry. Together, these characterizations yield a series of thermodynamic 'snapshots' of the self-assmbly of the cube, which appears to be entropy driven and enthalpically hindered in acetonitrile.

Self-assembly of a supramolecular cube

248th National Meeting (2014)

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