A Modification of the Free-Electron Model for Cyclic Polyenes
نویسنده
چکیده
In the free-electron model (FE) of cyclic polyenes the 7r-electrons are allowed to move freely in a ring. A modification of the FE-model (the MFE-model) is discussed in which the N-fold symmetry due to the N C-atoms of the ring is taken into account by an appropriate potential. The results of the MFE-model are compared with HMO-theory. The sequence of degenerate and non-degenerate levels which determines the chemical properties (aromaticity and anti-aromaticity) of the annulenes is the same for both models.
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