6533b838fe1ef96bd12a3d91
RESEARCH PRODUCT
An experimental and theoretical study of a heptacoordinated tungsten(VI) complex of a noninnocent phenylenediamine bis(phenolate) ligand
Petriina PaturiMikko M. HänninenKamal HossainMd. Kamal HossainAri LehtonenGeorge C. LisenskyMatti HaukkaEbbe Nordlandersubject
tungstenDFT calculations010402 general chemistry01 natural scienceslaw.inventionInorganic Chemistrychemistry.chemical_compoundDeprotonationlawOxidation stateMaterials ChemistryMoleculePhysical and Theoretical ChemistryElectron paramagnetic resonanceta116amidophenoxide radical010405 organic chemistryLigandkompleksiyhdisteetvolframielectronic structure0104 chemical sciencesCrystallographyoxidation statesUnpaired electronchemistryAlkoxidenoninnocent ligandDensity functional theorydescription
Abstract [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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2018-07-01 | Inorganic Chemistry Communications |