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The effect of cyclization on acenes

2000-10-23
Türker, Burhan Lemi
AM1 type semiempirical calculations were carried out involving acenes, dihydrocyclacenes and cyclacenes, in order to analyze the stabilizing and destabilizing factors effective on the cyclization of acenes to construct cyclacenes. Also, the effect of cyclization on the frontier molecular orbitals was discussed.