Molybdenum and Tungsten Dinitrogen Complexes Supported by Modified pentaPod Ligands: Implications on the Activation of N2 and its Conversion to NH3
- 1Institut für Anorganische Chemie, Christian-Albrechts-Universität zu Kiel, Max-Eyth-Straße 2, Kiel, Germany, 24118
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.
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BibTeX
@misc{vogt2026molybdenum,
title = {{Molybdenum and Tungsten Dinitrogen Complexes Supported by Modified pentaPod Ligands: Implications on the Activation of N2 and its Conversion to NH3}},
author = {Anna-Marlene Vogt and Jan Abel and Fabio Leon Gall and Tobias A. Engesser and Jan Krahmer and Felix Tuczek},
howpublished = {ChemRxiv},
year = {2026},
month = oct,
doi = {10.26434/chemrxiv.15010576/v1},
url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010576/v1},
note = {CC BY},
}
RIS
TY - UNPB
TI - Molybdenum and Tungsten Dinitrogen Complexes Supported by Modified pentaPod Ligands: Implications on the Activation of N2 and its Conversion to NH3
AU - Anna-Marlene Vogt
AU - Jan Abel
AU - Fabio Leon Gall
AU - Tobias A. Engesser
AU - Jan Krahmer
AU - Felix Tuczek
PY - 2026
DA - 2026/10/16
PB - ChemRxiv
DO - 10.26434/chemrxiv.15010576/v1
UR - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010576/v1
AB - 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.
ER -