Search results for "amidophenoxide"

showing 3 items of 3 documents

Heptacoordinated Molybdenum(VI) Complexes of Phenylenediamine Bis(phenolate): A Stable Molybdenum Amidophenoxide Radical

2013

The syntheses, crystallographic structures, magnetic properties, and theoretical studies of two heptacoordinated molybdenum complexes with N,N′-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-1,2-phenylenediamine (H4N2O2) are reported. A formally molybdenum(VI) complex [Mo(N2O2)Cl2(dmf)] (1) was synthesized by the reaction between [MoO2Cl2(dmf)2] and H4N2O2, whereas the other molybdenum(VI) complex [Mo(N2O2)(HN2O2)] (2) was formed when [MoO2(acac)2] was used as a molybdenum source. Both complexes represent a rare case of the MoVI ion without any multiply bonded terminal ligands. In addition, molecular structures, magnetic measurements, ESR spectroscopy, and density functional theory calculations ind…

Models MolecularMagnetic measurementsFree Radicalssyylliset liganditInorganic chemistryMolecular Conformationchemistry.chemical_elementPhenylenediaminesCrystallography X-RayMolecular conformationIonInorganic ChemistryPhenolsRare casePolymer chemistryOrganometallic CompoundsamidophenoxidePhysical and Theoretical ChemistrySpectroscopyta116Molybdenumradicalta114X-raynon-innocent ligandschemistryMolybdenumradikaalitQuantum TheoryDensity functional theoryamidofenoksidimolybdeeni
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An experimental and theoretical study of a heptacoordinated tungsten(VI) complex of a noninnocent phenylenediamine bis(phenolate) ligand

2018

[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 s…

amidophenoxide radicaloxidation statesnoninnocent ligandkompleksiyhdisteetvolframiDFT calculationselectronic structure
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An experimental and theoretical study of a heptacoordinated tungsten(VI) complex of a noninnocent phenylenediamine bis(phenolate) ligand

2018

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 ox…

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 theoryInorganic Chemistry Communications
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