Journal
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
Volume 647, Issue 14, Pages 1429-1435Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/zaac.202100015
Keywords
Iron Complexes; PNP Pincer Ligands; Carbon Monoxide; DFT calculations
Categories
Funding
- Austrian Science Fund (FWF) [P 24583-N28]
- Fundacao para a Ciencia e Tecnologia [PEst-OE/QUI/UI0100/2013]
- Vienna University of Technology
- Fundacao para a Ciencia e a Tecnologia (BioISI) [UIDB/04046/2020, UIDP/04046/2020]
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In this study, several Fe(0) complexes with different geometric structures were prepared and characterized. Some of them exhibited properties similar to Fe(I) systems.
In the present work we have prepared and fully characterized several Fe(0) complexes of the type [Fe(PNP)(CO)(2)] treating Fe(II) complexes [Fe(PNP)(Cl)(2)] with KC8 in the presence of carbon monoxide. While complexes [Fe(PNPNMe-iPr)(CO)(2)], [Fe(PNPNEt-iPr)(CO)(2)] adopt a trigonal bipyramidal geometry, the bulkier and more electron rich [Fe(PNPNH-tBu)(CO)(2)] is closer to a square pyramidal geometry. Mossbauer spectra showed isomer shifts very close to 0 and similar to those reported for Fe(I) systems. Quadrupole splitting values range between 2.2 and 2.7 mm s(-1) both in experiments and DFT calculations, while those of Fe(I) complexes are much smaller (similar to 0.6 mm s(-1)).
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