How molecular oxygen binds to bis[trifluoroacetylacetonato(-1)]cobalt(ii) - Ab initio and density functional theory studies

Dalton Transactions

Volumn 40, Issue 42, 2011, Pages 11289-11295

  Kubas, Adam ^a   Hartung, Jens ^b   Fink, Karin ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b Rheinland Pfälzische Technische Universität Kaiserslautern Landau   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AEROBIC OXIDATIONS; ALKENOLS; CAS-SCF; COBALT ATOMS; DIKETONATE COMPLEXES; DIOXYGEN MOLECULES; DIOXYGENS; FUNCTIONALIZED; GAIN INSIGHT; HIGH SPIN STATE; OXIDATION CATALYSIS; PROTIC SOLVENTS; QUARTET STATE; SPIN STATE; TETRAHYDROFURANS; UNPAIRED ELECTRONS;

COBALT; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR OXYGEN; OXIDATION; SPIN DYNAMICS;

COBALT COMPOUNDS;

EID: 80054973456     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/c1dt10724k     Document Type: Article

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