title: Heptacoordinated molybdenum(VI) complexes of phenylenediamine bis(phenolate): a stable molybdenum amidophenoxide radical.
abstract: 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 Mo(VI) ion without any multiply bonded terminal ligands. In addition, molecular structures, magnetic measurements, ESR spectroscopy, and density functional theory calculations indicate that complex 2 is the first stable molybdenum(VI) amidophenoxide radical.
authors.affiliation: Department of Chemistry, P.O. Box 35, University of Jyväskylä , FI-40014 Jyväskylä, Finland.
authors.forename: Mikko M
authors.initials: MM
authors.lastname: Hänninen
authors.forename: Petriina
authors.initials: P
authors.lastname: Paturi
authors.forename: Heikki M
authors.initials: HM
authors.lastname: Tuononen
authors.forename: Reijo
authors.initials: R
authors.lastname: Sillanpää
authors.forename: Ari
authors.initials: A
authors.lastname: Lehtonen
mesh_terms: D018360:Crystallography, X-Ray; D005609:Free Radicals / Q000138:chemical synthesis / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D008982:Molybdenum / Q000737:chemistry*; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D010636:Phenols / Q000737:chemistry*; D010655:Phenylenediamines / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D005609:Free Radicals; D009942:Organometallic Compounds; D010636:Phenols; D010655:Phenylenediamines; D008982:Molybdenum