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Using HOESY NMR Spectroscopy to Characterise Pre-Nucleation Aggregates

preprint
submitted on 30.12.2020, 08:37 and posted on 30.12.2020, 13:01 by Raitis Bobrovs, Andrievs Auseklis Auzins, Laura Drunka, Rimants Metlans, Ruslans Muhamadejevs, Kristaps Jaudzems
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.

Funding

From molecules to crystals: Molecular self-association by crystallization from solutions

Ministry of Education and Science

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History

Email Address of Submitting Author

raitis.bobrovs@osi.lv

Institution

Latvian Institute of Organic Synthesis

Country

Latvia

ORCID For Submitting Author

0000-0002-0221-8658

Declaration of Conflict of Interest

No conflict of interest.

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