Quantitative Interpretation of Diffusion-Ordered NMR Spectra: Can We Rationalize Small Molecule Diffusion Coefficients?


  • This work was supported by the Engineering and Physical Sciences Research Council (grant numbers EP/H024336/1 and EP/E05899X/1) and by Givaudan Flavors and Fragrances. AMcL thanks AstraZeneca for a studentship.


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Appealingly simple: A new method is described that allows the diffusion coefficient of a small molecule to be estimated given only the molecular weight and the viscosity of the solvent used. This method makes possible the quantitative interpretation of the diffusion domain of diffusion-ordered NMR spectra (see picture).