Session: Undergraduate Research Posters: Chemistry Education:

The purpose of this research is to design a computational chemistry exercise for physical/quantum chemistry students that deepens student understanding of polarity, solute-solvent interactions, and solvatochromism. The exercise focuses on applying the Hartree-Fock theory to solvatofluochromic dyes and various solvents. Students calculate the atomic charges in each dye and solvent and observe physical properties such as molecular geometry, dipole moment, and molecular size. They then apply their results to solute-solvent interactions and thereby gain a deeper understanding of the processes involved in solvatochromism. In addition, students gain valuable experience with the mathematics of basis sets and the Hartree-Fock method.

Bret Findley

Saint MIchael's College

Appearances