scholarly journals A Confidence Level Algorithm for the Determination of Absolute Configuration Using Vibrational Circular Dichroism or Raman Optical Activity

ChemPhysChem ◽  
2011 ◽  
Vol 12 (8) ◽  
pp. 1542-1549 ◽  
Author(s):  
Elke Debie ◽  
Ewoud De Gussem ◽  
Rina K. Dukor ◽  
Wouter Herrebout ◽  
Laurence A. Nafie ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Optical Activity ◽  
Absolute Configuration ◽  
Confidence Level ◽  
Vibrational Circular Dichroism ◽  
Raman Optical Activity ◽  
Determination Of Absolute Configuration ◽  
Circular Dichroïsm

scholarly journals Determination of the Absolute Stereochemistry of Limonene and α-Santalol by Raman Optical Activity Spectroscopy

2012 ◽  
Vol 7 (4) ◽  
pp. 1934578X1200700 ◽  
Author(s):  
Akira Sakamoto ◽  
Nao Ohya ◽  
Toshio Hasegawa ◽  
Hiroaki Izumi ◽  
Nakako Tokita ◽  
...  
Keyword(s):  
Organic Compounds ◽  
Optical Activity ◽  
Absolute Configuration ◽  
Natural Compounds ◽  
Vibrational Circular Dichroism ◽  
Raman Optical Activity ◽  
The Absolute ◽  
Circular Dichroïsm ◽  
Absolute Stereochemistry

Determining the absolute stereochemistry of organic compounds in solution remains a challenge. We investigated the use of Raman optical activity (ROA) spectroscopy to address this problem. The absolute configurations of (+)-( R)- and (-)-( S)-limonene were determined by ROA spectroscopy, which can be applied to smaller amounts of sample as compared with vibrational circular dichroism (VCD) spectroscopy. This ROA method was also applied to (+)-( E)-α-santalol and shown to be successful in the determination of the absolute configuration of this compound. ROA spectroscopy shows promise as a useful tool for determining the absolute stereochemistry of many natural compounds.

scholarly journals Vibrational Circular Dichroism: A New Tool for the Solution-State Determination of the Structure and Absolute Configuration of Chiral Natural Product Molecules

2008 ◽  
Vol 3 (3) ◽  
pp. 1934578X0800300 ◽  
Author(s):  
Laurence A. Nafie
Keyword(s):  
Circular Dichroism ◽  
Natural Product ◽  
Absolute Configuration ◽  
Vibrational Circular Dichroism ◽  
Chiral Molecules ◽  
Solution State ◽  
X Ray Crystallography ◽  
Determination Of Absolute Configuration ◽  
Circular Dichroïsm

Vibrational circular dichroism (VCD) has been used in recent years to determine the absolute configuration of a number of natural product chiral molecules. In this brief review, these applications will be described and the methodology of VCD determination of absolute configuration (AC) will be explained. The principal advantages of VCD versus X-ray crystallography for absolute configuration determination are: 1) only solution-state samples are needed and therefore single crystals are not required, 2) high enantiomeric sample purity is not required, 3) high chemical purity is not required as long as impurities are not chiral and 4) solution-state conformations are obtained as an extra feature of the AC determination.

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