Issue 4, 1999
From the journal:

Chemical Communications

Determination of absolute configuration using circular dichroism: Tröger’s Base revisited using vibrational circular dichroism

A. Aamouche,   F. J. Devlin  and  P. J. Stephens  

Abstract

A new methodology for predicting the Vibrational Circular Dichroism (VCD) spectra of chiral molecules using Density Functional Theory (DFT) and Gauge-Invariant Atomic Orbitals (GIAOs) permits the direct determination of the absolute configuration of organic molecules in solution; application to Tröger’s Base leads to the opposite absolute configuration from that deduced from electronic CD, confirming the conclusion arrived at from X-ray analysis of a diastereoisomeric salt.

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Article information

DOI
https://doi.org/10.1039/A808677J
Article type
Paper

Chem. Commun., 1999, 361-362

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Determination of absolute configuration using circular dichroism: Tröger’s Base revisited using vibrational circular dichroism

A. Aamouche, F. J. Devlin and P. J. Stephens, Chem. Commun., 1999, 361 DOI: 10.1039/A808677J

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