Ligands with Pi Acceptor Character and Resonance Stabilize the Fe-ONS- Bond

This poster displays the five ligands we examined in our experiment ranked in order of how well they stabilized an (SNO)- ligand, and a summary of our main findings.

Class: CHEM 0500 – Inorganic Chemistry Lab

Instructor(s): Dr. Eric Victor

Student(s): Rebecca Kim ’23, Emma Hansen, Fasika Petros, Oren Lederberg, Shawn Avidan (Chemistry ’22)

Description:

Our objective was to find a ligand that best stabilized an (SNO)- ligand coordinated to an iron center upon computational modeling. Computational optimizations included those for geometry, vibrational spectroscopy, UV-Visible spectroscopy, and molecular orbitals.

Using Fe-O bond length as a proxy to track stability, we discovered that a ligand with a 1) high degree of aromaticity and 2) pi-accepting character was best for stabilizing (SNO)-.

“CURE has increased my confidence about participating in research at Brown.”

-Student

I hadn’t really heard about CURE until taking this class. I appreciate the way CURE challenged me and I think CURE has increased my confidence about participating in research at Brown. It was a different experience from the typical lab portions of the class. I think there are advantages and disadvantages, it was unique and interesting and taught team building.