ISSN:
1432-2234
Keywords:
Molecular orbital resonance theory
;
Hückel rule
;
Charge polarization
;
Double bond fixation
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract An alternative approach to the treatment of the quantum chemical problems combining both, the MO and VB theory, is proposed. This approach retains the concept of resonance from the VB method, but it treats each particular bond in the MO sense. The method is illustrated with a few examples. Relative stabilities of benzene, pentalene and cyclobutadiene are derived. A Hückel (4m + 2) rule is derived for the annulenes. The charge polarisation in the case of the pentalene molecule is explained. A distortion of the pentalene molecule is considered and it is shown that within this approach the distortion depends on the charge polarisation.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00547892
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