Structural and Electronic Properties of Iron(0) PNP Pincer Complexes. Issue 14 (4th May 2021)

• Record Type: Journal Article
• Authors: Glatz, Mathias; Gorgas, Nikolaus; Stöger, Berthold; Pittenauer, Ernst; Ferreira, Liliana; Veiros, Luis F.; Calhorda, Maria José; Kirchner, Karl
• Is Part Of: Zeitschrift für anorganische und allgemeine Chemie. Volume 647:Issue 14(2021)
• Page Start: 1429
• Page End: 1435
• Publication Date: 2021-05-04
• Subjects: Iron Complexes -- PNP Pincer Ligands -- Carbon Monoxide -- DFT calculations; Chemistry, Inorganic -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/zaac.202100015
• Languages: English
• ISSNs: 0044-2313

Abstract

Abstract: 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(PNP NMe ‐ i Pr)(CO)2 ], [Fe(PNP NEt ‐ i Pr)(CO)2 ] adopt a trigonal bipyramidal geometry, the bulkier and more electron rich [Fe(PNP NH ‐ t Bu)(CO)2 ] is closer to a square pyramidal geometry. Mössbauer 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 (∼0.6 mm s −1 ). Abstract :