Protocols for the analysis of theoretical optical rotations
1Department of Chemistry, Vanderbilt University, Nashville, TN 37235, USA. Prasad.L.Polavarapu@vanderbilt.edu
Abstract:
The availability of sophisticated quantum mechanical methods for predicting molecular optical rotations has revolutionized the determination of molecular stereochemistry. However, the objectives and approaches used for the applications of optical rotation vary from one laboratory to the other. With the number of applications of optical rotation increasing at an unprecedented rate, it is considered necessary to discuss the protocols for the general use of optical rotations predicted with quantum mechanical methods. A summary of the quantum mechanical methods for predicting optical rotations and protocols for the use of predicted optical rotations are presented in this article.
More Related Videos
Related Concept Videos
Properties of Enantiomers and Optical Activity
Measuring Reaction Rates
Woodward–Hoffmann Selection Rules and Microscopic Reversibility
Racemic Mixtures and the Resolution of Enantiomers
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
Stereoisomerism
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...


