Colletto, C;
Whitaker, D;
Larrosa, I;
(2017)
Determination of 2H KIEs from Competition Experiments: Increased Accuracy via Isotopic Enrichment.
Topics in Catalysis
, 60
(8)
pp. 589-593.
10.1007/s11244-017-0740-1.
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Abstract
Methods for the determination of 2H KIEs at natural abundance of deuterium have not been widely used due to the requirement for very long NMR times or large reaction scale. We previously reported a simple methodology for reducing these restrictions by the addition of a small amount of deuterated substrate. Herein, we evaluate the deuterium loadings that give the lowest errors in the determination of 2H KIEs. Our simulations indicate that our approach leads to a 4000-fold reduction in NMR time over natural abundance methods.
| Type: | Article |
|---|---|
| Title: | Determination of 2H KIEs from Competition Experiments: Increased Accuracy via Isotopic Enrichment |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1007/s11244-017-0740-1 |
| Publisher version: | https://doi.org/10.1007/s11244-017-0740-1 |
| Language: | English |
| Additional information: | This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. |
| Keywords: | Kinetic isotope effect, Competition experiments at natural abundance and/or in isotopically enriched substrates, Quantitative 2H NMR analysis |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10058265 |
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