Document Type : Research Paper


Baghdad University - College of Science



The vibration frequencies, IR absorption intensities and normal coordinates of the
Corannulene radical cation and anion were calculated applying the MINDO/3, PM3, (DFT (B3LYP/6-
311G)) quantum mechanical methods. The results allowed proper assignments for the frequencies of
the experimentally known, radical cation vibrations. They provided pre estimation of the radical anion
frequencies. Comparison is done for the frequencies of the ions with those of the neutral Corannulene

Main Subjects

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