Using HOESY NMR Spectroscopy to Characterise Pre-Nucleation Aggregates
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CC-BY-NC-ND-4.0
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HOESY NMR and molecular dynamics revealed that heteronuclear Overhauser effects in benzoic acid arise from diffusion-limited pre-nucleation aggregates, with self-association being solvent-dependent.
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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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- europepmc
- last seen: 2026-05-19T01:45:01.086888+00:00
- unpaywall
- last seen: 2026-05-27T02:00:06.600101+00:00
License: CC-BY-NC-ND-4.0