Cody Stark
Pronouns:
Research Mentor(s): James Penner-Hahn
Research Mentor School/College/Department: Chemistry and Biophysics / LSA
Program:
Authors: Cody Stark
Session: Session 3: 11:00 am – 11: 50 am
Poster: 37
Abstract
The photosensitivity of the coenzyme form of Vitamin B12 has been well known for a while. Our lab is researching the mechanisms of photochemistry that arise, the characteristics of the excited states after photolysis occurs, and how reactivities are limited. Specifically, we use quantum chemical calculations in order to determine the XANES spectra of Co active sites. This will allow us to see it as a function of geometry and predict characteristics of its active site. In order to accomplish this, I use a program FDMNES to simulate XANES spectra of desired compounds. In other words, the FDMNES program calculates the spectra of different spectroscopies related to the real or virtual absorption of x-ray in material. In conducting such simulations, we want to confirm that Co goes from 6 coordinate to a 5 coordinate at higher pH. Also, we hope to find out how the 5 ligands are arranged based on our resulting data. In the concluding data, we expect to find evidence of high pH decreasing coordination to 5 from 6, and to discover really how the ligands are attached in space.
