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Cycloöctadecanonaene: a theoretical study

✍ Scribed by D.W. Davies

Book ID
104235061
Publisher
Elsevier Science
Year
1959
Tongue
French
Weight
167 KB
Volume
1
Category
Article
ISSN
0040-4039

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✦ Synopsis

THE recent report of the preparation of gyclo6ctadecanonaene1 suggests that a brief discussion of the results of a simple molecular orbital calculation on this system of 18 x-electrons might be of interest.

Detailed results do not seem to be available in the literature, although they can readily be obtained from the general formulae for cyclic polyenes.

The caloulations were made by the standard Hiickel methode2 The energy of the R-V transition was also obtained by a perturbation method due to Dewar,j The results for the resonance energy, the energy of the N-V transition, the free valency, the bond order and the corresponding bond length are shown in Table 1.

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