Journal :   Asian Journal of Research in Chemistry

Volume No. :   6

Issue No. :  2

Year :  2013

Pages :   117-120

ISSN Print :  0974-4169

ISSN Online :  0974-4150


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Quantum Chemical Studies on Molecular Structures of Copper-Bipyridine Complexes



Address:   K.P. Srivastava*, S.K. Srivastaw and Gaurav Sinha
Ganga Singh College, Jai Prakash University, Chapra-841301, India
*Corresponding Author
DOI No:

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.
Cite:
K.P. Srivastava, S.K. Srivastaw, Gaurav Sinha. Quantum Chemical Studies on Molecular Structures of Copper-Bipyridine Complexes. Asian J. Research Chem. 6(2): February 2013; Page 117-120.
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