Molecular and electronic structure of four- and five-coordinate cobalt complexes containing two o-phenylenediamine- or two o-aminophenol-type ligands at various oxidation levels: An experimental, density functional, and correlated ab initio study

Chemistry - A European Journal

Volumn 11, Issue 1, 2005, Pages 204-224

  Bill, Eckhard ^a   Bothe, Eberhard ^a   Chaudhuri, Phalguni ^a   Chlopek, Krzysztof ^a   Herebian, Diran ^a   Kokatam, Swarnalatha ^a   Ray, Kallol ^a   Weyhermüller, Thomas ^a   Neese, Frank ^a   Wieghardt, Karl ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

Author keywords

Ab initio calculations; Cobalt; Density functional calculations; Nickel; Radical ions

Indexed keywords

ELECTRON CONFIGURATION; ELECTRONIC ABSORPTION; MAGNETIC CIRCULAR DICHROISM; SPECTROSCOPIC OXIDATION;

COMPLEXATION; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONIC STRUCTURE; GROUND STATE; MAGNETIC SUSCEPTIBILITY; MOLECULAR STRUCTURE; NEGATIVE IONS; NICKEL COMPOUNDS; OXIDATION; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SPECTROSCOPIC ANALYSIS; SYNTHESIS (CHEMICAL); X RAY CRYSTALLOGRAPHY;

COBALT COMPOUNDS;

1,2 PHENYLENEDIAMINE; 2 AMINOPHENOL; COBALT COMPLEX; LIGAND; METAL COMPLEX; NICKEL; RADICAL;

AB INITIO CALCULATION; ABSORPTION SPECTROSCOPY; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; COMPLEX FORMATION; CYCLIC POTENTIOMETRY; DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY; ELECTRON SPIN RESONANCE; PROTON NUCLEAR MAGNETIC RESONANCE; X RAY CRYSTALLOGRAPHY;

EID: 16244389024     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400850     Document Type: Article

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