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Quantum Chemical Studies on Molecular Structures of Copper-Pyridine Complexes

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1TitleTitle of DocumentQuantum Chemical Studies on Molecular Structures of Copper-Pyridine Complexes
2CreatorAuthor's name, affiliation, country K. P. SRIVASTAVA, S. K. SRIVATAW, V. K. SINGH and GAURAV SINHA
Department of Chemistry, Ganga Singh College Jai Prakash University, Chapra-841301, India
3SubjectDicipline(s) Chemical Science
3SubjectKeywords Copper, Pyridines, Quantum chemical calculations, Metal-ligand bonding
4DescriptionAbstract 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.
5PublishersOrganizing agency, location WWW Publications, India
6Contributor Sponsor(s) -
7DateDate (YYYY-MM-DD) -
8TypeStatus & genre Peer-reviewed Article
8TypeType
9FormateFile Formate PDF
10IdentifierUniform Resource Identifier Click Here
10IdentifierDigital Object Identifier DOI:10.7598/cst2013.504
11SourceJournal/conference title; vol., no. (Year)Chemical Science Transactions, Volume  2 , Number  (4), (2013)
12LanuguageEnglish=en en
13RelationSupp.files
14Coverage -
15CopyrightCopyright and permissions
Chemical Science Transactions | Chem Sci Trans | CST | Online Chemistry Journal | Open Access
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