The equilibrium between the octahedral and square pyramidal form and the influence of an axial ligand on the molecular properties of V IVO complexes: A spectroscopic and DFT study

Chemistry - A European Journal

Volumn 16, Issue 27, 2010, Pages 8167-8180

  Gorelsky, Serge ^b   Micera, Giovanni ^a   Garribba, Eugenio ^a  

^a UNIVERSITY OF SASSARI   (Italy)

^b UNIVERSITY OF OTTAWA   (Canada)

Author keywords

Coordination modes; Density functional calculations electronic structure; EPR spectroscopy; Vanadium

Indexed keywords

ADDITIVITY RULES; AQUEOUS SOLUTIONS; AXIAL LIGAND; BIDENTATE LIGANDS; BOUND LIGANDS; CARBOXAMIDES; COORDINATION MODES; DENSITY FUNCTIONAL CALCULATIONS ELECTRONIC STRUCTURE; DENSITY-FUNCTIONAL CALCULATIONS; DFT CALCULATION; DFT METHOD; DFT STUDY; DONOR SETS; EPR SPECTRA; EPR SPECTROSCOPY; GAUSSIANS; HYPERFINE COUPLING CONSTANTS; MOLECULAR PROPERTIES; PENTACOORDINATED; PYRIDINE-2; PYRIDINEDICARBOXYLIC ACIDS; SOLVENT MOLECULES; WATER MOLECULE;

ACIDS; DISSOLUTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; IONIC STRENGTH; IONIZATION OF LIQUIDS; LIGANDS; MOLECULES; PARAMAGNETIC RESONANCE; VANADIUM; VANADIUM ALLOYS;

ELECTRON SPIN RESONANCE SPECTROSCOPY;

LIGAND; PYRIDINE DERIVATIVE; VANADIUM DERIVATIVE; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON SPIN RESONANCE; QUANTUM THEORY; SOLUTION AND SOLUBILITY; SPECTROSCOPY;

ELECTRON SPIN RESONANCE SPECTROSCOPY; LIGANDS; MODELS, MOLECULAR; PYRIDINES; QUANTUM THEORY; SOLUTIONS; SPECTRUM ANALYSIS; VANADIUM COMPOUNDS; WATER;

EID: 77954702554     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201000679     Document Type: Article

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