Abstract
An additivity scheme of electronegativities of univalent substituents has been proposed on the basis on the Van Vleck orbital model of valence states of atoms. The electronegativity of any organic or heteroelement-containing substituent can be calculated from the orbital electronegativities and hardnesses of atoms constituting that substituent. The proposed additivity scheme is the most consistent among those currently available for calculation of orbital electronegativities of univalent substituents. The scheme was substantiated with the aid of quantum-chemical scale of group electronegativities.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
REFERENCES
Pauling, L., The Nature of the Chemical Bond, and the Structure of Molecules and Crystals. An Introduction to Modern Structural Chemistry, Ithaca: Cornell Univ., 1940, 2nd ed. Translated under the title Priroda khimicheskoi svyazi, Moscow: Goskhimizdat, 1947, pp. 32–116.
Cherkasov, A.R., Galkin, V.I., Zueva, E.M., and Cherkasov, R.A., Russ. J. Gen. Chem., 1996, vol. 66, no. 5, p. 856.
Cherkasov, A.R., Galkin, V.I., Zueva, E.M., and Cherkasov, R.A., Russ. J. Gen. Chem., 1996, vol. 66, no. 3, pp. 399-402.
Cherkasov, A.R., Galkin, V.I., Zueva, E.M., and Cherkasov, R.A., Russ. J. Gen. Chem., 1997, vol. 67, no. 1, pp. 87-97.
Sibgatullin, I.M., Cand. Sci. (Chem.) Dissertation, Kazan, 1999.
Hinze, J. and Jaffe, H.H., J. Am. Chem. Soc., 1962, vol. 84, no. 4, pp. 540-546.
Van Vleck, J.H., J. Chem. Phys., 1934, vol. 2, no. 1, pp. 20-30.
Martynov, A.I. and Batsanov, S.S., Zh. Neorg. Khim., 1980, no. 25, no. 12, pp. 3171-3175.
Allen, L.C., J. Am. Chem. Soc., 1989, vol. 111, no. 25, pp. 9003-9014.
Hinze, J., Whitehead, M.A., and Jaffe, H.H., J. Am. Chem. Soc., 1963, vol. 85, no. 2, pp. 148-154.
Hinze, J. and Jaffe, H.H., J. Phys. Chem., 1963, vol. 67, no. 7, pp. 1501-1506.
Cherkasov, A.R., Galkin, V.I., Zueva, E.M., and Cherkasov, R.A., Usp. Khim., 1998, vol. 67, no. 5, pp. 423-441.
Proft, F., Langenaeker, W., and Geerlings, P., J. Phys. Chem., 1993, vol. 97, no. 9, pp. 1826-1831.
Mullay, J., J. Am. Chem. Soc., 1984, vol. 106, no. 20, pp. 5842-5847.
Mullay, J., J. Am. Chem. Soc., 1985, vol. 107, no. 25, pp. 7271-7275.
Zueva, E.M., Galkin, V.I., Cherkasov, A.R., and Cherkasov, R.A., Ross. Khim. Zh., 1999, vol. 43, no. 1, pp. 39-48.
Ingold, C.K., Structure and Mechanism in Organic Chemistry, Ithaca: Cornell Univ., 1969, 2nd ed. Translated under the title Teoreticheskie osnovy organicheskoi khimii, Moscow: Mir, 1973, p. 1055.
Iczkowski, R.P. and Margrave, J.L., J. Am. Chem. Soc., 1961, vol. 83, no. 17, pp. 3547-3551.
Zueva, E.M., Cand. Sci. (Chem.) Dissertation, Kazan, 1999.
Localization and Delocalization in Quantum Chemistry, Chalvet, O., Ed., Dordrecht: D. Reidel, 1975–1976, vols. 1, 2.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Zueva, E.M., Galkin, V.I., Cherkasov, A.R. et al. Physical Interpretation of the Electronegativity. Russian Journal of Organic Chemistry 38, 613–623 (2002). https://doi.org/10.1023/A:1019616401418
Issue Date:
DOI: https://doi.org/10.1023/A:1019616401418