Print ISSN: 1681-6900

Online ISSN: 2412-0758

Keywords : Corannulene


Theoretical Study for the Preparation of Sub-Carbon Nano Tubes from the Cyclic Polymerization of Three Molecules from (Corannulene, Coronene and Circulene) Aromatic Compounds

Hasan R. Obayes; Ghadah H. Alwan; Abdulnasser M. AL-Gebori; Samah S. Adeeb; Rashed Taleb Rasheed; Nidal Al Derzi; Abbas A. Mohammed

Engineering and Technology Journal, 2014, Volume 32, Issue 2, Pages 238-250

Corannulene, coronene and circulene are polycyclic aromatic hydrocarbons (PAHs) compounds were chosen to study the preparation of carbon tubes with diameters smaller fraction of nano-meter theoretically may achievable using the density function theory (DFT). The results showed that the stability of the molecules are; corannulene molecule is bowl-shaped, coronene molecule is planar, circulene molecule has a unique saddle-shaped structure. Upon to molecular polymerization a tube for three of the molecules selected results a sub-nanotubes formation. The results showed thermodynamic all preparations reactions are spontaneous and exothermic; the tubes prepared have high efficiency in the gap energy, making it potentially useful for solar cell applications

Theoretical Study for the Preparation of New Buckyballs from the Cyclic Dimerization Reaction of TwoMolecules Corannulene, Coronene and Circulene Aromatic Compounds

Hasan R. Obayes

Engineering and Technology Journal, 2013, Volume 31, Issue 5, Pages 594-602

Corannulene, coronene and circulene are polycyclic aromatic hydrocarbons (PAHs) compounds were chosen in this research to study the preparation of new buckyballs with diameters smaller fraction of nano-meter theoretically may achievable using the density function theory (DFT). The results showed that the shapes of stable molecules are; corannulene molecule is bowl-shaped, coronene molecule is planar, circulene molecule has a unique saddle-shaped structure. Upon to cyclic dimerization reaction for two of the molecules selected resulting a new buckyballs formation. The results showed that the new buckyballs prepared have high efficiency in the gap energy, making it potentially useful for solar cell applications.