title: Synthesis, spectroscopic characterization and semi-empirical calculations for a low spin carbonyl, pyridine(alpha-iminooxime)iron(II) macrocyclic complex.
abstract: Synthetic route and detailed characterization of the macrocyclic complex [Fe(II)(dohpn)(py)(CO)](ClO4) (dohpn = 2,3,9,10-tetramethyl-1,4,8,11-tetraazaundecane-1,3,8,10-tetraen-11-ol-1-olate and py = pyridine) based on analytical, spectrometric and spectroscopic methods are herein reported. The corresponding vibrational and electronic features are discussed and a consistent assignment is proposed on the basis of semi-empirical theoretical calculations.
authors.affiliation: Departamento de Química, Centro Politécnico, Universidade Federal do Paraná, C.P. 19081, 81531-990 Curitiba, PR, Brasil.
authors.forename: Gisele M
authors.initials: GM
authors.lastname: Protasiewyck
authors.forename: David J
authors.initials: DJ
authors.lastname: Evans
authors.forename: Henrique E
authors.initials: HE
authors.lastname: Toma
authors.forename: Fábio S
authors.initials: FS
authors.lastname: Nunes
mesh_terms: D002244:Carbon / Q000737:chemistry*; D002248:Carbon Monoxide / Q000737:chemistry; D002621:Chemistry / Q000379:methods*; D004578:Electron Spin Resonance Spectroscopy / Q000379:methods; D007501:Iron / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D008956:Models, Chemical; D008958:Models, Molecular; D016011:Normal Distribution; D010084:Oxidation-Reduction; D010618:Phenanthrolines / Q000737:chemistry; D013053:Spectrophotometry / Q000379:methods*; D015204:Spectroscopy, Mossbauer / Q000379:methods*; D014466:Ultraviolet Rays
chemical_list: D010618:Phenanthrolines; D002244:Carbon; D002248:Carbon Monoxide; D007501:Iron