Asian Journal of Research In Chemistry
  • Year: 2013
  • Volume: 6
  • Issue: 2

Quantum Chemical Studies on Molecular Structures of Copper-Bipyridine Complexes

  • Author:
  • K.P. Srivastava, S.K. Srivastaw, Gaurav Sinha
  • Total Page Count: 4
  • Page Number: 117 to 120

Ganga Singh College, Jai Prakash University, Chapra-841301, India

*Corresponding Author E-mail: jpukpsrichem@rediffmail.com

Online published on 6 May, 2013.

Abstract

The Cu-bipyridine complexes were studied through quantum chemical calculations using B3P86 and MP2 methodswith 6311+G(d,p) basis sets in the GAUSSIAN 2003 program package. The monodentate structures of neutral and ionic Cu-(4,4’-bipydine) complexes have C2 symmetry with about 40° rotation angles between the two pyridine rings, while the neutral and ionic Cu-2,2’-bipyridine complexes have planar conformations in C2v symmetry.

Keywords

Copper, bipyridines, quantum chemical calculations, metal-ligand bonding