Physical Chemistry

Using HOESY NMR Spectroscopy to Characterise Pre-Nucleation Aggregates

Abstract

Pre-nucleation aggregates are important species on the crystallisation pathway. Here we combine heteronuclear Overhauser effect spectroscopy (HOESY) and molecular dynamics calculations to study the self-association of a model system – benzoic acid. Our findings indicate that heteronuclear Overhauser effects arise from diffusion-limited pre-nucleation aggregates and that self-association is solvent dependant.

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Supplementary material

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NMR in nucleation SI 20201207