Project abstract for group luconnie

Harnessing Metal-Metal Bonds: Bonding, Electronic Properties, and Small-Molecule Reactivity

The Lu group investigates metal-metal bonds of first-row transition metals. Bonds between first-row metals are typically weaker than their heavier congeners, which presents a synthetic challenge to isolate and study them. The researchers are also interested in developing catalysts featuring metal-metal bonds, and using non-precious metals is sensible for making economical and sustainable catalysts. Transition metal pairs can form multiple bonds with versatile, multi-electron redox properties, which is promising for the reduction of small-molecules. A wide range of unique electronic properties and chemical reactivity can be envisioned for the diverse pairings of first-row transition metals. The group has investigated a wide array of metal-metal bonds to understand how one transition metal influences another and how to tune chemical properties by varying the metals. They are currently exploring their application in dinitrogen activation. MSI resources are used to perform electronic structure calculations and energetics of reaction pathways.

A bibliography of this group's publications acknowledging MSI is attached.