Stereoisomerism in Tetrametallic Propeller‐like Complexes: a Solid‐state and Solution NMR Study on a Tetragallium(III) Derivative

Tetragallium(III) complex in [Ga4(L4-Py)2(dpm)6] ⋅ EtOH, with H3L4-Py=2-(hydroxymethyl)-2-(pyridin-4-yl)propane-1,3-diol and Hdpm=dipivaloylmethane, was investigated as a diamagnetic analogue of tetrametallic, propeller-like single-molecule magnets (SMMs). The chiral molecular structure partitions the six CH2 protons each tripodal (L4-Py)3− ligand into two diastereotopic sets. signals were clearly detected by 1H NMR spectroscopy C6D6, proving that Λ Δ enantiomers interconvert slowly over timescale. Density functional theory calculations provided quantitative agreement observed values chemical shifts scalar coupling constants across both geminal long-range interaction pathways. solid-state suggests occurrence lower symmetry stereoisomer (27 mol%), which identified spectra. Since high spin Fe3+ forms distinctly more inert complexes than Ga3+, comparable or greater configurational stability is expected for isostructural FeIII4, FeIII3CrIII, FeIII3VIII SMMs, are difficult to investigate solution because strong paramagnetism.