Abstract
A simple criterion for estimating molecular dissymmetry and an algorithm of its calculation are suggested. Calculations are performed for compounds belonging to different point groups. The new molecular characteristic may be used to predict the magnitude and sign of optical rotation.
Similar content being viewed by others
References
V. E. Kuzmin,Zh. Fiz. Khim.,68, No. 6, 1037–1043 (1994).
A. V. Terentiev and V. M. Potapov,Basic Stereochemistry [in Russian], Khimiya, Moscow (1964).
V. E. Kuzmin and I. B. Stelmakh,Zh. Strukt. Khim.,28, 45–49 (1987).
V. E. Kuzmin and I. B. Stelmakh,ibid., 50–55.
I. I. Olkhovskii,A Course in Theoretical Mechanics for Physicists [in Russian], Moscow University, Moscow (1978), pp. 348–353.
S. A. Akhnazarova and V. V. Kafarov,Optimization of Experiment in Chemistry and Chemical Technology [in Russian], Vysshaya Shkola, Moscow (1978), pp. 12–15.
B. M. Yavorskii and A. A. Detlaf,Physicist’s Handbook [in Russian], Nauka, Moscow (1977), p. 369.
A. V. Belik,Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol.,35, No. 4, 51–55 (1992).
A. V. Belik and V. A. Potyomkin,Zh. Fiz. Khim.,66, No. 1, 140–142 (1992).
B. N. Nikolskii (ed.),Chemist’s Handbook [in Russian], Vol. 4, Khimiya, Moscow (1967).
T. Clark,A Handbook of Computational Chemistry: A Practical Guide to Chemical Structure and Energy Calculations, Wiley, New York (1985).
Additional information
Chelyabinsk State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 3, pp. 500–506, May–June, 1998.
Rights and permissions
About this article
Cite this article
Markov, V.M., Potyomkin, V.A. & Belik, A.V. Algorithm for estimating molecular dissymmetry. J Struct Chem 39, 407–412 (1998). https://doi.org/10.1007/BF02873650
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF02873650