Improving the Interpretation of Small Molecule Diffusion Coefficients

Evans, Robert, Dal Poggetto, Guilherme, Nilsson, Mathias and Morris, Gareth A. (2018). Improving the Interpretation of Small Molecule Diffusion Coefficients. Analytical Chemistry ,

Abstract

Diffusion-ordered NMR spectroscopy (DOSY) is increasingly widely used for the analysis of mixtures by NMR spectroscopy, dispersing the signals of different species according to their diffusion coefficients. DOSY is used primarily to distinguish between the signals of different species, with the interpretation of the diffusion coefficients observed usually being purely qualitative, for example to deduce whether one species is bigger or smaller than another. In principle the actual values of diffusion coefficient obtained carry important information about the sizes of different species and on interactions between species, but the relationship between diffusion coefficient and molecular mass is in general a very complex one. Here a recently-proposed analytical relationship between diffusion coefficient and molecular mass for the restricted case of small organic molecules is tested against a wide range of data from the scientific literature, and generalised to cover a range of solvents and temperatures.

Publication DOI: https://doi.org/10.1021/acs.analchem.7b05032
Divisions: Engineering & Applied Sciences > Chemical engineering & applied chemistry
Engineering & Applied Sciences > Polymer and advanced materials research group
Additional Information: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Analytical Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Published Work, see http://pubs.acs.org/page/policy/articlesonrequest/index.html]. Funding: Engineering and Physical Sciences Research Council (grant numbers EP/H024336/1 and EP/E05899X/1) and a studentship to GDP from Science Without Borders – Brazil (CNPq reference number 233163/2014-0).
Full Text Link: http://pubs.acs ... nalchem.7b05032
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Published Online Date: 2018-02-26
Authors: Evans, Robert ( 0000-0003-1471-201X)
Dal Poggetto, Guilherme
Nilsson, Mathias
Morris, Gareth A.

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