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Correlation of molecular properties with the electron-interaction parameters of functional groups

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Theoretical and Experimental Chemistry Aims and scope

Abstract

It is shown that it is possible to correlate the properties of Y in XZY or XY, as affected by X in position m or p with respect to Y, with quantities that reflect the changes in response to X in the electron energies of the top filled and lowest empty orbitals of Y. The magnitude of the change in electron density in the orbitals of Y is the same when X is an electron donor (density increase) or electron acceptor (density decrease).

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  1. Khar'kov Polytechnic Institute, Russia

    A. E. Lutskii

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Lutskii, A.E. Correlation of molecular properties with the electron-interaction parameters of functional groups. Theor Exp Chem 3, 458–467 (1971). https://doi.org/10.1007/BF00523709

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