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Resonance energy negative values

In the following paper of this series6 a value of about 1.7 v.e. has been found from thermochemical data for the resonance energy of benzene. Equating the negative of this quantity to 1.1055a, we calculate the value of a to be about —1.5 v.e. This value may not be very reliable, however, since it is based on the assumption that values of bond energies obtained from aliphatic compounds can be applied directly to aromatic compounds. [Pg.119]

In the absence of direct calorimetric data for the enthalpy of formation of tert-butyl fluoride, what happens if we use the value of-351.1 kJ mol"1 derived elsewhere in this study. So doing, we conclude the resonance energies of the halobenzenes are all negative and near-... [Pg.378]

The general theory of the HMO total re-electron energy as well as its chemical applications are outlined in full detail in the book [13]. There exists one more review on E [14], but in the Serbo-Croatian language. Whenever E is applied in chemistry one should bear in mind that the resonance integral (3 is a negative-valued parameter. [Pg.33]

The abbreviation TRE comes from topological resonance energy , as this measure of the overall cyclic conjugation in a polycyclic conjugated molecule was originally named [35,44], The TRE-concept was introduced in 1976 independently by Aihara [34] and by Milun, Trinajstic and the present author [35, 44, 45], Aromatic conjugated molecules have positive whereas antiaromatic molecules have negative TRE-values. [Pg.38]


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See also in sourсe #XX -- [ Pg.52 ]




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