Question

2. Increasing the aromaticity of by fusing more benzene rings together forms a special class of compounds that are called Polycyclic Aromatic Hydrocarbons (PAHs). Primary sources of these compounds are from burning coal, gasoline, wood and trash. These compounds are very persistent organic pollutants and are carcinogenic. We will predict their UV-Vis properties using the Particle-in-a-2- D box model. For the following two aromatic compounds, calculate the wavelength corresponding to the lowest energy wavelength. Should it be a colored compound? Does your result the experimental numbers?

a. Naphthalene C10H8; Box Size 6.3 x 4.2 Å; Experimental wavelengths in the UV-Vis of naphthalene: 221 and 286 nm.

b. Anthracene C14H12; Box Size 8.7 x 4.2 Å Experimental wavelengths in the UV-Vis of naphthalene: 256 and 375 nm.

Answer 1