title: Synthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes.
abstract: We report synthesis of six new bis-nicotinamide metal(II) dihalide complexes [M(nia)(2)Cl(2); M = Mn, Co; nia:nicotinamide, M(nia)(2)Br(2); M = Mn, Hg; M(nia)(2)I(2); M = Cd, Cu], and their characterization by combining infrared spectroscopy with density functional theory (DFT) calculations. Infrared spectra indicate that ring-nitrogen is the active donor cite, and the atomic structure of the complexes is determined to be polymeric octahedral or distorted polymeric octahedral. Spin polarized electronic ground state is obtained for Mn, Co, and Cu halide complexes. The colors of the complexes also support the conclusion of octahedral coordination around the metal atoms, in agreement with DFT results.
authors.affiliation: Department of Physics, Faculty of Science and Art, Celal Bayar University, Muradiye, Manisa 45047, Turkey. ahmet.atac@bayar.edu.tr
authors.forename: Ahmet
authors.initials: A
authors.lastname: Ataç
authors.forename: Şenay
authors.initials: Ş
authors.lastname: Yurdakul
authors.forename: Savas
authors.initials: S
authors.lastname: Berber
mesh_terms: D056246:Chemistry, Analytic; D056831:Coordination Complexes / Q000138:chemical synthesis / Q000737:chemistry; D006219:Halogens / Q000737:chemistry*; D008670:Metals / Q000737:chemistry*; D008954:Models, Biological; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D009536:Niacinamide / Q000737:chemistry*; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D013057:Spectrum Analysis
chemical_list: D056831:Coordination Complexes; D006219:Halogens; D008670:Metals; D009942:Organometallic Compounds; D009536:Niacinamide