Absolute configuration of a [1]rotaxane determined from vibrational and electronic circular dichroism spectra - Archive ouverte HAL Access content directly
Journal Articles Chirality Year : 2021

Absolute configuration of a [1]rotaxane determined from vibrational and electronic circular dichroism spectra

Abstract

The experimental vibrational circular dichroism (VCD) and electronic circular dichroism (ECD) spectra were measured for the enantiomers of [1]rotaxane 1. These experimental spectra have been analyzed using predicted VCD and ECD spectra for (S, Rmp) or (S, Smp) diastereomers using density functional theory. This comparison allowed for a definitive assignment of the absolute configuration of 1.
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Dates and versions

hal-03360296 , version 1 (30-09-2021)

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Andrew R Puente, Adrien Bessaguet, Noël Pairault, Grégory Pieters, Jeanne Crassous, et al.. Absolute configuration of a [1]rotaxane determined from vibrational and electronic circular dichroism spectra. Chirality, 2021, 33 (11), pp.773-782. ⟨10.1002/chir.23365⟩. ⟨hal-03360296⟩
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