Abstract

The applicability of empirical relations between bondorders and bondlengths is shown to be subject to some restrictions which are of considerable importance in the calculation of force constants from MO-theories. The consequent application of a suggested correction leads to a new Β(r)-relation from which correct predictions of both UV-spectra and vibrational force constants may be obtained. Force constant calculations from thermochemical parameters are shown to be unreliable; a discussion of the thermochemical evaluation of Β suggests a number a possible causes of the limitations of its applicability.

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