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Synthesis,spectral, thermal and structural study of bis(2-bromobenzoato-O,O′)-bis(methyl-3-pyridylcarbamate-N)-zinc(II)
Authors:Annamá  ria Erdé  lyiová  ,Katarí  na Győryová  ,Ró  bert Gyepes,Ladislav Halá  s,Jana Ková  řová  
Affiliation:1. Department of Inorganic Chemistry, P. J. Šafárik University, Moyzesova 11, 041 54 Košice, Slovak Republic;2. Department of Inorganic Chemistry, Charles University, Albertov 8, 128 43 Praha 2, Czech Republic;3. Institute of Macromolecular Chemistry, AV ?R, Heyrovského nám. 2, 162 06 Praha 6, Czech Republic
Abstract:The new complex bis(2-bromobenzoato-O,O′)-bis(methyl-3-pyridylcarbamate-N)-zinc(II), [Zn(2-BrC6H4COO)2mpc2] (1), has been prepared and characterized by elemental analysis, IR spectroscopy, thermal analysis and single-crystal X-ray diffraction. The bonding between the ligands and the central atom was investigated by DFT studies. The theoretical infrared spectrum of 1 was compared with the experimental data. The complex proved to be thermally stable up to 165 °C. Volatile intermediate products of its thermal decomposition were identified by mass spectrometry. The coordination environment of the zinc atom consists of two nitrogen atoms of two methyl-3-pyridylcarbamate ligands and is chelated by four oxygen atoms of two 2-bromobenzoate ligands (ZnO4N2 – chromophore).
Keywords:Zinc   Methyl-3-pyridylcarbamate   Spectral, thermal and structural study   DFT calculations
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