A Simple Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template


Tickell, D., Lampard, E., Lowe, J., James, T., Bull, S., 2016. A Simple Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template. University of Bath. https://doi.org/10.15125/BATH-00211.


Dataset abstract

This repository contains the experimental data discussed in the manuscript. Including, 1H NMR, 13C NMR, 11B NMR (FID and PDF) and Mass Spectra for compound 1d and complexes of 1a, 1b, 1c, 1d, 1e and 1f with 1,3-phenyldiboronic acid. Output files from energy minimisation and equilibrium geometry calculations using a semi-empirical (PM3) method to calculate the lowest energy conformations of the heterochiral (meso) and homochiral boronate esters (RR and SS) derived from 1-phenyl-1,3-propanediol 1c. A calibration curve in Excel format for using the measured de to obtain the absolute ee of the sample.

Title: A Simple Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template
Departments: Faculty of Science > Biology & Biochemistry
Faculty of Science > Chemistry
DOI: https://doi.org/10.15125/BATH-00211
URI: http://researchdata.bath.ac.uk/id/eprint/211
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