Short communication, Note

Hybridization in 1,5,9-Tridehydro(l2)Annulene

M. Randić ; Institute »Ruder Boskovic«, Zagreb, Croatia, Yugoslavia
A. Rubčić ; Institute »Ruder Boskovic«, Zagreb, Croatia, Yugoslavia

Abstract

The hybridization 'in l,5,9-tridehydro(12)annulene has been
calculated by the method of maximum overlap. The results show
that the hybrids describing CC double bonds and CC triple
bonds have more s-character than the hybrids of the same carbon
atoms involved in single CC bonds. Consequently, CC double and
CC triple bonds are strengthened not only by the additional n-type
overlap, but also by an increase of cr-type overlap, which accompanies
the rise of the s-content. By using available empirical
correlations a comparison between calculated and experimental
NMR data (spin-spin coupling constant J (C13- H) and chemical
shift i;) is made.

Keywords

Hrčak ID:

197328

URI

https://hrcak.srce.hr/197328

Publication date:

10.8.1971.

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