Converting N2 directly into amines through multimetallic catalysis

Introduction

Nitrogen containing molecules (amines) are ubiquitous in our daily lives. The N atoms in these essential compounds originate from dinitrogen (N2), but often undergo a vastly energy inefficient route to be incorporated into molecules. Hence, it has been a long-standing goal to develop catalysts that enable the direct conversion of N2 into amines to provide an efficient and sustainable alternative for amine synthesis.

Problem Statement

While various metal complexes enable the stoichiometric conversion of N2 into amines, a key problem preventing catalytic conversion lies in the incompatibility of the required harsh reductants with the reagents for making N–C bonds.

Project Objectives

In this project, I aim to develop well-defined molecular catalysts wherein multiple metals work together to directly convert N2 into amines. To this end, I will develop innovative ligand platforms based on rigid core scaffolds, designed to bind 2, 3, or 4 metal centers in close proximity.

Methodology

In a systematic combined experimental and computational study, I will obtain fundamental understanding on how aspects like:

1. Metal-metal separation
2. Number of metals
3. Reduction state
4. Accessibility of metal sites

affect the cooperative binding and activation of N2. This will enable me to identify design parameters of multimetallic complexes that enable N–C bond formation at metal-bound N2 without requiring harsh reductants.

Expected Outcomes

With this information, I will rationally design multimetallic complexes that enable the direct (electro)catalytic conversion of N2 into amines. My strong background and track record in ligand design, N2 activation, multimetallic coordination chemistry, and catalysis puts me in a unique position to realize the highly ambitious goals of this project.

Long-term Vision

The N2-CONVERT project will provide a new paradigm on how we look at N2, from an inert molecule to an abundant, cheap, and non-toxic N-atom building block. In the long run, it will lay the foundation for a sustainable alternative to the current wasteful way of making amines.