Application of a 2-D particle in a box model to the electronic absorption spectra of polyaromatic hydrocarbons and porphyrin molecules

CHED 945

David L. Sellers, ds439889@arbor.edu1, Jenna L. Manby, jm231011@arbor.edu2, and Thomas S. Kuntzleman, tkuntzle@arbor.edu2. (1) Chemistry, Spring Arbor University, 106 E. Main St., Spring Arbor, MI 49283, (2) Department of Chemistry, Spring Arbor University, Spring Arbor, MI 49283
The particle in a two dimensional box model is used to predict features in the UV/visible spectra of polyaromatic hydrocarbons (PAHs) and porphyrins. When this model is applied to some PAHs, absorbances are predicted to appear in the infrared. The predictions of this model are compared with Spartan calculations and experimental data. Features of absorbance data and predictions of molecular structure are discussed.
 

Undergraduate Research Poster Session: Physical Chemistry
2:00 PM-4:00 PM, Monday, April 7, 2008 Morial Convention Center -- Hall A, Poster

Division of Chemical Education

The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008