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Calculation of 1H chemical shifts of conjugated alternant hydrocarbons with (4m) rings

✍ Scribed by H. Vogler

Publisher
John Wiley and Sons
Year
1985
Tongue
English
Weight
465 KB
Volume
23
Category
Article
ISSN
0749-1581

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✦ Synopsis

The 'H chemical shifts of the polycyclic alternant hydrocarbons bicyclo[6.2.0]decapenteene, cycloocta[deflbiphenylene, dicycloocta[l,2,3,4&j: 1',2',3',4'-jkl]biphenylene and cycloocta[1,2,3,4deflbenzo[3,4]cyclobuta[6,7]biphenylene, which c o n e an &membered ring, are calculated by means of a semi-empirical approach. The agreement between experimental and calculated shitts is good if geometries are determined by a self-consistent resonance integral, or even better by a n-SCF force field procedure.

Predictions are made for the as yet unknown dianions of these hydrocarbons.

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