A Simple Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template
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.
Cite this dataset as:
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.
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00211.
Export
Data
A_Protocol … Chiral_Diols.zip
application/zip (15MB)
Creators
David Tickell
University of Bath
Emma Lampard
University of Bath
John Lowe
University of Bath
Tony James
University of Bath
Steven Bull
University of Bath
Contributors
University of Bath
Rights Holder
Documentation Files
README.rtf
text/rtf (63kB)
Funders
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Doctoral Training Centre in Sustainable Chemical Technologies
EP/G03768X/1
Publication details
Publication date: 2016
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-00211
URL for this record: https://researchdata.bath.ac.uk/id/eprint/211
Related papers and books
Tickell, D. A., Lampard, E. V., Lowe, J. P., James, T. D., and Bull, S. D., 2016. A Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template. The Journal of Organic Chemistry, 81(15), 6795-6799. Available from: https://doi.org/10.1021/acs.joc.6b01005.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: David Tickell
Life Sciences
Biology & Biochemistry
Faculty of Science
Chemistry
