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SRT resonance energy

We will not explore the computational details of VB theory, but it is worth noting some results that can be obtained with it. Recall that one of the features of HMO theory is that it is possible to make useful predictions, such as the relative stabilities of cyclic n systems or the locations of impaired electron density in a conjugated radical, without actually doing the HMO calculations. Similarly, it is not necessary to carry out a complete valence bond calculation to obtain useful quantitative predictions of resonance energies and some other properties of conjugated n systems. Herndon described a structure-resonance theory (SRT) method that enables one to calculate resonance energies using only Kekule structures The methods described in the references present... [Pg.241]

Apply the SRT method to phenanthrene and to styrene in order to verify the resonance energies listed in Table 4.5. [Pg.248]


See also in sourсe #XX -- [ Pg.244 ]




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