Experimentelle Prüfung von Näherungsansätzen für Chiralitätsfunktionen am Beispiel der optischen Aktivität von Methan-Derivaten im Transparenzgebiet II / Semiempirical Use of Chirality Functions for the Description of the Optical Activity of Methan Derivatives in the Transparent Region II

1978 ◽  
Vol 33 (2) ◽  
pp. 165-172 ◽  
Author(s):  
Wolf Jürgen Richter

Simple alcohol derivatives are used to test approximative chirality functions experimentally. The approximations of the type 1 b yield a competent description of the optical rotatory power of methan-derivatives. Provided that certain restrictions of ligand inter-actions are taken into account, a set of ligand-specific parameters is obtained; however, no common set of parameters is suitable for both the alcohol and the amino-alcohol derivatives, which have been published before

Ever since the time of van’t Hoff and Le Bel the number investigations dependent on optical activity, or attempting to elucidate optical activity, has been very great, and it is remarkable that, even at the present time, there is no theoretical formula which gives the relation between the magnitude of the rotation and the chemical structure of the molecule concerned. The present communication supplies this want with regard to the molecule of the simplest asymmetric type: the molecule with four different groups attached to one central atom. Various special hypothese have been postulated to explain optical activity, but a few investigators have shown quite definitely that there is no necessity for any of these hypotheses. Born* and Oseen have shown independently that, if the molecule has a dissymmetric structure, the ordinary refractive properties of the atoms will account for an optical rotation. Gray* and de Mallemann have attempted calculations of formulæ for optical retatory power on this basis. However, it has not been possible to condense the numerous algebraic terms which occur in these calculaations into a compact form.


2013 ◽  
Vol 200 ◽  
pp. 129-133 ◽  
Author(s):  
Yaroslav Shopa ◽  
Nazar Ftomyn

A calculation technique based on the polarizability theory for optical activity (OA) is applied to derive optical rotatory power (ORP) for the La3Ga5.5Ta0.5O14 (LGT). Dispersions of both the ordinary and extraordinary refractive indices and the ORP are calculated. A comparison of the observed and calculated OA parameters confirms validity of our theoretical calculations.


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