The Au144(SR)60 nanocluster has been a subject of structural conjecture since its initial description over a decade ago as a 29 kDa compound, yet a decisive empirical structure is elusive. Herein we show that 1H NMR spectroscopy can provide a detailed view of ligand-layer equivalence for thiolate protected gold nanoclusters. We show that Au25(SR)18, Au38(SR)24 and Au102(SR)44 nanoclusters have 1H NMR spectra where the number of distinct chemical environments for the R-groups is equivalent to the number of symmetry environments of the sulfur headgroups, which anchor each ligand. We also show that the Au144(SR)601H NMR spectrum is consistent with a previously published DFT-derived structural model for Au144(SR)60. We suggest that this analysis may be extended to other structurally obscure nanoclusters, such as a 59 kDa compound for which we observe up to four symmetry environments.
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