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Boron Radical Route to Green Nitrogen: Mechanistic Elucidation and Closing the Synthetic Cycle

Project description

Pathway to sustainable N2 activation

Throughout life, in agriculture, pharmaceuticals and materials science, dinitrogen (N2) has become a key resource in operations, processes and manufacturing. Unfortunately, despite its importance, its activation and conversion are complex and costly processes, with current solutions being extremely energy-intensive and a significant contributor to CO2 emissions. Supported by the Marie Skłodowska-Curie Actions programme, the BRGN project will develop a sustainable boron-radical-mediated N2 activation solution by researching and addressing gaps in our understanding of key mechanisms. To achieve this, the project will design novel radical capture agents and Lewis acids to allow the characterisation and analysis of key intermediates in the process, and subsequently demonstrate their results.

Objective

Dinitrogen (N2) is an essential resource for life, agriculture, pharmaceuticals, and materials science, yet its inertness, due to high bond dissociation energy (941 kJ/mol) and a large HOMO-LUMO gap (10.8 eV), makes activation and conversion a major scientific challenge. The energy-intensive Haber-Bosch process, which supports global agriculture, consumes 1-2% of world energy and contributes significantly to CO2 emissions, highlighting the urgent need for sustainable alternatives.
Inspired by nitrogenases, recent advances have expanded nitrogen fixation beyond transition metals to main-group elements. A paradigm shift occurred in 2018 with the first boron-based molecular activation of N2, and more recently, the host group achieved metal-free, radical-mediated conversion of N2 to borylamines under mild conditions. However, key mechanistic aspects remain unresolved: radical intermediates are unisolated, uncharacterized, and poorly understood beyond computational predictions.
This MSCA project aims to address these gaps by elucidating the mechanism of boron-radical-mediated N2 activation. We will design novel Lewis acids and radical capture agents to isolate and characterize key intermediates such as [R2B-N2]• and [(R2B)2N]• using multimodal analysis (XRD, NMR, EPR, UV-vis, and DFT). Furthermore, the project will demonstrate the release of green nitrogen products (NH₃ and organonitrogens) via electrophilic functionalization and establish a closed synthetic cycle, contributing to sustainable chemistry aligned with EU Critical Raw Materials priorities.
By combining fundamental insight with applied goals, this research pioneers a sustainable pathway for nitrogen fixation beyond the Haber-Bosch process.

Fields of science (EuroSciVoc)

Keywords

Programme(s)

Topic(s)

Funding Scheme

HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships

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Call for proposal

(opens in new window) HORIZON-MSCA-2025-PF

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Coordinator

CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS
Net EU contribution
€ 242 260,56
Address
RUE MICHEL ANGE 3
75794 Paris
France
Region
Ile-de-France Ile-de-France Paris
Activity type
Research Organisations
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Total cost
No data