Publication
Title
Vibrational circular dichroism versus optical rotation dispersion and electronic circular dichroism for diastereomers : the stereochemistry of 3-(1 '-hydroxyethyl)-1-(3 '-phenylpropanoyl)-azetidin-2-one
Author
Abstract
The absolute configuration of a relatively large and conformationally flexible chiral compound, 3-(1 '-hydroxyethyl)-1-(3 '-phenylpropanoyl)-azetidin-2-one, is determined using Vibrational Circular Dichroism (VCD) spectroscopy, Optical Rotation Dispersion (ORD) and Electronic Circular Dichroism (ECD). To that end a state of the art experimental VCD spectrum is compared to a theoretical spectrum and the absolute configuration is assigned. ORD and ECD are also used in the assignment to investigate the complementarity of the three techniques. VCD spectroscopy is found to have important advantages over ORD and ECD for diastereomers. The concept of robust modes is applied to this conformationally flexible molecule, showing that its use is limited for such large and flexible molecules.
Language
English
Source (journal)
Physical chemistry, chemical physics / Royal Society of Chemistry [London] - Cambridge, 1999, currens
Publication
Cambridge : 2012
ISSN
1463-9076 [print]
1463-9084 [online]
Volume/pages
14:24(2012), p. 8562-8571
ISI
000304605600014
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.07.2012
Last edited 11.06.2017
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