Abstract

APPLICATION OF PARTICLE-IN-A- RING MODEL TO PREDICT THE MAXIMUM ABSORBANCE (ΛMAX) OF CORONENE

*Jayprakash S. Chauhan

Abstract

Coronene is known as super benzene. This molecule is characterized by a big cloud of delocalized electrons spread over the entire surface of molecule. This has attracted a lot of interest in its research. The other peculiarity of this molecule is that it emits blue light in presence of UV radiation. This molecule contains alternate double bonds. The electron cloud or electrons are assumed to move around the peripheral region of the molecule is considered to be forming a ring like structure. We have made an effort to apply the quantum mechanical model – ‘Electron in a Ring’ to predict the UV/VIS absorption peak [λmax] of the molecule. The result roughly agrees with the experimental observation with 31 ٪ error. Discussion focuses on how the electron on a ring model works, the assumptions that are made, its limitations, causes of error and its uses. This model may be used to bridge theoretical and experimental results.

Keywords: Coronene, electron in a ring model, delocalization, assumptions, absorbance.