Nov 08, 2024

Dr. Scott Simpson, professor of Chemistry, Kate Merkel, 2022 SBU Chemistry graduate, and Dr. Alyssa Santos, former postdoctoral researcher in the Simpson Research group, have had their publication "Trigonal Bipyramidal or Square Planar? Density Functional Theory calculations of iron bis(dithiolene) N-heterocyclic carbene complexes" accepted for publication in the Royal Chemical Society's journal Dalton Transactions.

Their research explores how different geometries in iron-containing complexes might influence catalytic behavior. These complexes are important because they have potential to create new chemicals affordably by acting as catalysts.