Analysis and interpretation of metal-radical coupling in a series of square planar nickel complexes: Correlated Ab initio and density functional investigation of [Ni(lISQ)2] (L ISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-))

Journal of the American Chemical Society

Volumn 125, Issue 36, 2003, Pages 10997-11005

  Herebian, Diran ^a   Wieghardt, Karl E ^a   Neese, Frank ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

ORBITAL STRUCTURES;

CHEMICAL BONDS; FREE RADICALS; MAGNETIC COUPLINGS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

NICKEL COMPOUNDS;

LIGAND; METAL; NICKEL COMPLEX; NICKEL(3,5 DI TERT BUTYL 2 DIIMINOBENZOSEMIQUINONATE); QUINONE DERIVATIVE; RADICAL; TRANSITION ELEMENT; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; DENSITY; GEOMETRY; MAGNETISM;

EID: 0042233761     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja030124m     Document Type: Article

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112. max is the extinction coefficient of the unknown species at the band maximum.