title: A structural, spectroscopic and computational study of the molecular and electronic structure of a [bis(alpha-diiminato)manganese(II)] pi radical complex.
abstract: The synthesis, molecular and electronic structure of the first bis(alpha-diiminato)manganese(II) complex are reported, [Mn(II)(L )(2)] (S(t) = (3)/(2)) where (L )(1-) represents the one-electron reduced form of N,N'-bis(2,6-isopropylphenyl)-1,4-diaza-1,3-diene; density functional theoretical calculations using the B3LYP functional and the broken symmetry approach BS(5,2) corroborate the presence of a high-spin Mn(II) ion and two ligand pi radical monoanions.
authors.affiliation: Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34-36, Mülheim an der Ruhr, Germany.
authors.forename: Meenakshi
authors.initials: M
authors.lastname: Ghosh
authors.forename: Thomas
authors.initials: T
authors.lastname: Weyhermüller
authors.forename: Karl
authors.initials: K
authors.lastname: Wieghardt
mesh_terms: D018360:Crystallography, X-Ray; D004578:Electron Spin Resonance Spectroscopy; D004583:Electrons; D008024:Ligands; D008345:Manganese / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000737:chemistry*; D013696:Temperature
chemical_list: D008024:Ligands; D009942:Organometallic Compounds; D008345:Manganese