Protocols for the analysis of theoretical optical rotations.
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.
Department of Chemistry, Vanderbilt University, Nashville, TN 37235, USA. Prasad.L.Polavarapu@vanderbilt.edu
Prasad L
PL
Polavarapu