Please use this identifier to cite or link to this item: https://doi.org/10.1366/000370203322102889
Title: Determination of enantiomeric excess using the ultraviolet-circular dichroism and the high-performance liquid chromatography-circular dichroism methods
Authors: Chen, L.
Zhao, Y.
Gao, F.
Garland, M. 
Keywords: Enantiomeric excess
Enantiomers
High-performance liquid chromatography-circular dichroism
HPLC-CD
Pure reference spectra
Simulated annealing
Ultraviolet-circular dichroism
UV-CD
Issue Date: Jul-2003
Source: Chen, L.,Zhao, Y.,Gao, F.,Garland, M. (2003-07). Determination of enantiomeric excess using the ultraviolet-circular dichroism and the high-performance liquid chromatography-circular dichroism methods. Applied Spectroscopy 57 (7) : 797-804. ScholarBank@NUS Repository. https://doi.org/10.1366/000370203322102889
Abstract: Two useful numerical methods using ultraviolet (UV) and circular dichroism (CD) spectroscopies are proposed to determine enantiomeric excess (e.e). An algorithm is also proposed to generate self-consistent pure R and S enantiomer reference spectra. After all pure reference spectra are generated, a simulated annealing algorithm is applied to minimize the mismatch between the experimental spectra and the spectra after a least-squares fit. Optimal factors for R and S enantiomers are then used to determine e.e. The ultraviolet-circular dichroism (UV-CD) method uses the combined UV and CD spectra in a composite form, while the high-performance liquid chromatography (HPLC)-CD method only employs the CD spectra with the total concentrations of R plus S enantiomers provided by HPLC using a non-chiral stationary phase. Both methods were successfully tested on mixtures with known composition and then applied to real experimental data (unknown compositions). Compared with the UV-CD method, the results show that excellent results are more readily obtained using the HPLC-CD method. With the systems studied, the latter usually provided outstanding estimations of e.e with low error percentages.
Source Title: Applied Spectroscopy
URI: http://scholarbank.nus.edu.sg/handle/10635/66520
ISSN: 00037028
DOI: 10.1366/000370203322102889
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