Synthesis, spectroscopic and structural characterization of cobalt(II) complex with uracil-containing 2,6-diformylpyridine ligand: Theoretical studies on the ligand and pentagonal-bipyramidal [Co(L)(H2O)2]2+ and [Zn(L)(H2O)2]2+ cations

Journal of Molecular Structure

Volumn 966, Issue 1-3, 2010, Pages 39-47

  Koz, Gamze ^a   Özdemir, Namik ^b   Astley, Demet ^a   Dinçer, Muharrem ^b   Astley, Stephen T ^a  

^a EGE UNIVERSITY   (Turkey)

^b ONDOKUZ MAYIS UNIVERSITY   (Turkey)

Author keywords

Electronic structure; IR and NMR spectroscopy; Synthesis; Theoretical calculations; X ray crystallography

Indexed keywords

[CARBONYL; APICAL POSITIONS; BASIS SETS; BIPYRAMIDAL GEOMETRIES; COBALT COMPLEXES; DFT-B3LYP; DIHYDRATES; EFFECTIVE CORE POTENTIAL; EQUATORIAL PLANES; FLUORINE ATOMS; FRONTIER MOLECULAR ORBITALS; GAUGE-INCLUDING ATOMIC ORBITALS; HARTREE-FOCK; HEXAFLUOROPHOSPHATES; HF AND DFT; IR AND NMR SPECTROSCOPY; IR SPECTROSCOPY; MOLECULAR GEOMETRIES; MONOCLINIC SPACE GROUPS; NATURAL BOND ORBITAL ANALYSIS; NMR CHEMICAL SHIFTS; SINGLE CRYSTAL X-RAY DIFFRACTION; STRUCTURAL CHARACTERIZATION; THEORETICAL CALCULATIONS; THEORETICAL STUDY; VIBRATIONAL FREQUENCIES;

ATOMS; CHELATION; CHEMICAL BONDS; COBALT; COBALT COMPOUNDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FLUORINE; ISOMERS; LIGANDS; MINERALOGY; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; PYRIDINE; SELF ASSEMBLY; SINGLE CRYSTALS; SPECTRUM ANALYSIS; SYNTHESIS (CHEMICAL); ZINC;

X RAY CRYSTALLOGRAPHY;

EID: 75749087129     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.12.001     Document Type: Article

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