Abstract
It is shown that in treating bond distortions in pentalene and large annulenes in the framework of the Molecular Orbital Resonance Theory (MORT) [1], the variation of the resonance integral with bond length and the σ-bond compression energy should be taken into account. The charge polarization to which the bond disrtortion in pentalene is entirely attributed by Živković [1] is of minor importance.
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References
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Nakajima, T., Toyota, A. Comments on a MORT treatment of bond length alternations in conjugated hydrocarbons. Theoret. Chim. Acta 65, 77–80 (1984). https://doi.org/10.1007/BF00552301
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DOI: https://doi.org/10.1007/BF00552301