An experimental and theoretical study of a heptacoordinated tungsten(VI) complex of a noninnocent phenylenediamine bis(phenolate) ligand

Summary, in English

[W(N₂O₂)(HN₂O₂)] (H₄N₂O₂ = N,N′-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-1,2-phenylenediamine) with a noninnocent ligand was formed by reaction of the alkoxide precursor [W(eg)₃] (eg = the 1,2-ethanediolate dianion) with two equivalents of ligand. The phenol groups on one of the ligands are completely deprotonated and the ligand coordinates in a tetradentate fashion, whereas the other ligand is tridentate with one phenol having an intact OH group. The molecular structure, magnetic measurements, EPR spectroscopy, and density functional theory calculations indicate that the complex is a stable radical with the odd electron situated on the tridentate amidophenoxide ligand. The formal oxidation state of the metal center is W(VI), with the paramagnetic properties being due to the unpaired electron on the ligand.

• Author: Md Kamal Hossain; Matti Haukka; Mikko M. Hänninen; George C. Lisensky; Petriina Paturi; Ebbe Nordlander; Ari Lehtonen
• Department/s: Chemical Physics
• Publishing year: 2018-07-01
• Language: English
• Pages: 149-152
• Publication/Series: Inorganic Chemistry Communications
• Volume: 93
• Links: http://dx.doi.org/10.1016/j.inoche.2018.05.023
• Document type: Journal article
• Publisher: Elsevier
• Topic: Physical Chemistry (including Surface- and Colloid Chemistry)
• Keywords: Amidophenoxide radical; DFT calculations; Electronic structure; Noninnocent ligand; Oxidation states; Tungsten
• Status: Published
• ISBN/ISSN/Other: ISSN: 1387-7003