ISSN:
0749-1581
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The 1H chemical shifts of the polycyclic alternant hydrocarbons bicyclo[6.2.0]decapentaene, cycloocta[def]biphenylene, dicycloocta[1,2,3,4-def: 1′,2′,3′,4′-jkl]biphenylene and cycloocta[1,2,3,4-def]benzo[3,4]cyclobuta[6,7]biphenylene, which contain an 8-membered ring, are calculated by means of a semi-empirical approach. The agreement between experimental and calculated shifts is good if geometries are determined by a self-consistent resonance integral, or even better by a π-SCF force field procedure. Predictions are made for the as yet unknown dianions of these hydrocarbons.
Additional Material:
3 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260231205
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