Molybdenum and Tungsten Dinitrogen Complexes Supported by Modified pentaPod Ligands: Implications on the Activation of N2 and its Conversion to NH3
Year: 2026
Type: preprint
Abstract: The pentaPod (pentadentate tetrapodal phosphine) ligand P5R with PMe2 or phospholane (Pln) donors offers the opportunity to investigate how small changes in the ligand framework affect the properties of the corresponding transition-metal complexes. Here, we examine the influence of replacing the propyl with ethyl groups in the trident part of the pentaPod ligand with regard to N2 activation as well as N2-to-NH3 conversion by the corresponding Mo(0)N2 and W(0)N2 complexes. A comparison of the DFT-optimized structures of the original P5R and the shortened etP5R pentaPod complexes reveals important structural differences that influence N2 activation. The geometric and electronic structure results obtained from DFT are checked by comprehensive spectroscopic and electrochemical studies of the new etP5R-supported molybdenum and tungsten systems as well as through an investigation of their ability to (catalytically) generate NH3.
Source: ChemRxiv
Institution: Christian-Albrechts-Universität zu Kiel
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7222710550