Key words: Aromaticity
Nucleus-independent chemical shift
Springer Online Journal Archives 1860-2000
Chemistry and Pharmacology
Abstract. B3LYP/6-31G* calculations on bis-periazulene (cyclohepta[def]-fluorene) predict a triplet ground state for this molecule. The singlet has an aromatic 14π-electron periphery but is 2 kcal/mol higher in energy. The results agree with earlier predictions by Heilbronner.
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