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Resonance hybrid, definition

It is often asked whether or not the constituent structures of a resonating system, such as the Kekul4 structures for the benzene molecule, are to be considered as having reality. There is one sense in which this question may be answered in the affirmative but the answer is definitely negative if the usual chemical significance is attributed to the structures. A substance showing resonance between two or more valence-bond structures does not contain molecules with the configurations and properties usually associated with these structures. The constituent structures of the resonance hybrid do not have reality in this sense. [Pg.251]

The electronic structure is reformulated in terms of free electrons and a d resonance in order to relate the band width W, to the resonance width T, and is then reformulated again in terms of iransilion-metal pseudopotential theory, in which the hybridization between the frce-electron states and the d state is treated in perturbation theory, The pseudopotential theory provides both a definition of the d-state radius and a derivation of all interatomic matrix elements and the frce-electron effective mass in terms of it. Thus it provides all of the parameters for the L.CAO theory, as well as a means of direct calcidation of many properties, as was possible in the simple metals. ... [Pg.476]


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See also in sourсe #XX -- [ Pg.4 , Pg.2508 ]




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