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ChemInform Abstract: Determination of the Absolute Configurations of Chiral Molecules Using Vibrational Circular Dichroism (VCD) Spectroscopy

✍ Scribed by Philip J. Stephens; Frank J. Devlin; Jian-Jung Pan

Publisher
John Wiley and Sons
Year
2008
Weight
15 KB
Volume
39
Category
Article
ISSN
0931-7597

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πŸ“œ SIMILAR VOLUMES

Determination of the structure of chiral
Determination of the structure of chiral molecules using ab initio vibrational circular dichroism spectroscopy
✍ P.J. Stephens; F.J. Devlin πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 260 KB πŸ‘ 2 views

We discuss the theoretical prediction of vibrational circular dichroism (VCD) spectra using ab initio density functional theory (DFT) and the application of this methodology to the determination of the absolute configurations and conformations of chiral molecules.

Determination of the Absolute Configurat
Determination of the Absolute Configuration of (βˆ’)-Mirtazapine by Vibrational Circular Dichroism
✍ Teresaβ€…B. Freedman; Rinaβ€…K. Dukor; Peterβ€…J.β€…C.β€…M. vanβ€…Hoof; Edwinβ€…R. Kellenbach; πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 German βš– 92 KB πŸ‘ 1 views

The absolute configuration of the (Γ€)-enantiomer of mirtazapine was determined by means of vibrational circular dichroism (VCD). The observed VCD of (Γ€)-mirtazapine showed excellent correlation with the calculated VCD of the (R)-enantiomer. This is in agreement with the absolute configuration as det