Synthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes
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2011
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Abstract
We report synthesis of six new bis-nicotinamide metal(II) dihalide complexes [M(nia) 2Cl 2; M = Mn, Co; nia:nicotinamide, M(nia) 2Br 2; M = Mn, Hg; M(nia) 2I 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. © 2011 Elsevier B.V. All Rights Reserved.
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Chemistry, Analytic , Coordination Complexes , Halogens , Metals , Models, Biological , Models, Molecular , Molecular Dynamics Simulation , Niacinamide , Organometallic Compounds , Spectrum Analysis , Amides , Atomic spectroscopy , Chlorine compounds , Cobalt compounds , Density functional theory , Infrared spectroscopy , Manganese , Mercury (metal) , Metal halides , Metals , Polymers , coordination compound , halogen , metal , nicotinamide , organometallic compound , Density functional theory calculations , DFT , Electronic ground state , Halide complexes , Infrared spectra , Infrared spectrum , Metal atoms , Metal halide complexes , Nicotinamide , Octahedral coordination , Spin-polarized , article , biological model , chemical structure , chemistry , molecular dynamics , spectroscopy , synthesis , Coordination reactions