Computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selector

Acomputational procedure for the modelling of chromatographic separation of neutral tris(acetylacetonato)cobalt(III) into enantiomers on a dinitrobis(arginine)cobalt(III) complex as a chiral selector is described. Predicted elution order calculated from the differences in total energy of interaction...

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Main Authors:	Čučković Ljiljana, Hodžić Ismet M., Niketić Svetozar R.
Format:	Article
Language:	English
Published:	Serbian Chemical Society 2002-01-01
Series:	Journal of the Serbian Chemical Society
Subjects:	co(iii) complexes chromatographic enantioseparation molecular mechanics computational modelling chirality.
Online Access:	http://www.doiserbia.nb.rs/img/doi/0352-5139/2002/0352-51390211735C.pdf

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spelling	doaj-1577b50cd8ce4fbc95b859c8e0b53e572020-12-24T07:40:25ZengSerbian Chemical Society Journal of the Serbian Chemical Society0352-51391820-74212002-01-01671173574410.2298/JSC0211735C0352-51390211735CComputational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selectorČučković Ljiljana0Hodžić Ismet M.1Niketić Svetozar R.2Faculty of Science - Chemistry Department, BelgradeFaculty of Science - Chemistry Department, BelgradeDepartment of Chemistry, Fribourg, SwitzerlandAcomputational procedure for the modelling of chromatographic separation of neutral tris(acetylacetonato)cobalt(III) into enantiomers on a dinitrobis(arginine)cobalt(III) complex as a chiral selector is described. Predicted elution order calculated from the differences in total energy of interaction for Δ and Δ selectands is in agreement with the experimental results. Predictive power of the method and its possible practical applications in designing efficient chiral stationary phases is demonstrated.http://www.doiserbia.nb.rs/img/doi/0352-5139/2002/0352-51390211735C.pdfco(iii) complexeschromatographic enantioseparationmolecular mechanicscomputational modellingchirality.
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Čučković Ljiljana Hodžić Ismet M. Niketić Svetozar R.
spellingShingle	Čučković Ljiljana Hodžić Ismet M. Niketić Svetozar R. Computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selector Journal of the Serbian Chemical Society co(iii) complexes chromatographic enantioseparation molecular mechanics computational modelling chirality.
author_facet	Čučković Ljiljana Hodžić Ismet M. Niketić Svetozar R.
author_sort	Čučković Ljiljana
title	Computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selector
title_short	Computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selector
title_full	Computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selector
title_fullStr	Computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selector
title_full_unstemmed	Computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selector
title_sort	computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(iii) complexes on an arginine complex of cobalt(iii) acting as a chiral selector
publisher	Serbian Chemical Society
series	Journal of the Serbian Chemical Society
issn	0352-5139 1820-7421
publishDate	2002-01-01
description	Acomputational procedure for the modelling of chromatographic separation of neutral tris(acetylacetonato)cobalt(III) into enantiomers on a dinitrobis(arginine)cobalt(III) complex as a chiral selector is described. Predicted elution order calculated from the differences in total energy of interaction for Δ and Δ selectands is in agreement with the experimental results. Predictive power of the method and its possible practical applications in designing efficient chiral stationary phases is demonstrated.
topic	co(iii) complexes chromatographic enantioseparation molecular mechanics computational modelling chirality.
url	http://www.doiserbia.nb.rs/img/doi/0352-5139/2002/0352-51390211735C.pdf
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Computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selector

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