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  • Chem Sci Trans., 2013, 2(4),  pp 1379-1385  

    DOI:10.7598/cst2013.504

    Research Article

    Quantum Chemical Studies on Molecular Structures of Copper-Pyridine Complexes

  • K. P. SRIVASTAVA, S. K. SRIVATAW, V. K. SINGH and GAURAV SINHA
  • Department of Chemistry, Ganga Singh College Jai Prakash University, Chapra-841301, India
  • Abstract

    The Cu-pyridine and Cu-(pyridine)2 complexes were studied by quantum chemical calculations. Although pyridine provides both σ and π-bonding capabilities towards metal atoms and ions, the mono-ligand and di-ligand Cu-pyridine complexes are determined to be σ- structures. In the di-ligand complex, the two pyridine rings prefer the eclipsed to the staggered form. Due to an additional Cu-N σ-bond and stronger ligand π-electron donation, the di-ligand complex possesses a stronger metal ligand interaction than the mono-ligand complex. Upon ionization, the metal-ligand bonding in the di-ligand complex is more strongly enhanced compared to the mono-ligand complex.

    Keywords

    Copper, Pyridines, Quantum chemical calculations, Metal-ligand bonding

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